methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid

C147H192N24O29 — CID 159201393

About methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid

methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid (PubChem CID 159201393) has the molecular formula C147H192N24O29 and a molecular weight of 2759.29 g/mol. Its IUPAC name is methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid.

Molecular Properties

• Compound Name: methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
• PubChem CID: 159201393
• Molecular Formula: C147H192N24O29
• Molecular Weight: 2759.29 g/mol
• Exact Mass: 2757.43
• IUPAC Name: methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
• SMILES: C.CC(C)CC(NC(=O)OC(C)(C)C)C(=O)O.COC(=O)c1ccc(N)c(N)c1.COC(=O)c1ccc(N)c(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)c1.COC(=O)c1ccc(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)c(N)c1.COC(=O)c1ccc2nc(C(CC(C)C)NC(=O)Cc3ccc(NC(=O)Nc4ccccc4C)cc3)[nH]c2c1.COC(=O)c1ccc2nc(C(N)CC(C)C)[nH]c2c1.Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NC(CC(C)C)c2nc3ccc(C(=O)O)cc3[nH]2)cc1.Cc1ccccc1NC(=O)Nc1ccc(CC(=O)O)cc1
• InChI: InChI=1S/C30H33N5O4.C29H31N5O4.2C19H29N3O5.C16H16N2O3.C14H19N3O2.C11H21NO4.C8H10N2O2.CH4/c1-18(2)15-26(28-33-24-14-11-21(29(37)39-4)17-25(24)34-28)32-27(36)16-20-9-12-22(13-10-20)31-30(38)35-23-8-6-5-7-19(23)3;1-17(2)14-25(27-32-23-13-10-20(28(36)37)16-24(23)33-27)31-26(35)15-19-8-11-21(12-9-19)30-29(38)34-22-7-5-4-6-18(22)3;1-11(2)9-15(22-18(25)27-19(3,4)5)16(23)21-14-8-7-12(10-13(14)20)17(24)26-6;1-11(2)9-15(22-18(25)27-19(3,4)5)16(23)21-14-10-12(17(24)26-6)7-8-13(14)20;1-11-4-2-3-5-14(11)18-16(21)17-13-8-6-12(7-9-13)10-15(19)20;1-8(2)6-10(15)13-16-11-5-4-9(14(18)19-3)7-12(11)17-13;1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;1-12-8(11)5-2-3-6(9)7(10)4-5;/h5-14,17-18,26H,15-16H2,1-4H3,(H,32,36)(H,33,34)(H2,31,35,38);4-13,16-17,25H,14-15H2,1-3H3,(H,31,35)(H,32,33)(H,36,37)(H2,30,34,38);2*7-8,10-11,15H,9,20H2,1-6H3,(H,21,23)(H,22,25);2-9H,10H2,1H3,(H,19,20)(H2,17,18,21);4-5,7-8,10H,6,15H2,1-3H3,(H,16,17);7-8H,6H2,1-5H3,(H,12,15)(H,13,14);2-4H,9-10H2,1H3;1H4
• InChIKey: KPILCMUYDHNJOD-UHFFFAOYSA-N
• XLogP: 26.22
• TPSA: 814.32 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 34
• Rotatable Bonds: 43
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2759.29
LogP ≤ 5	26.22
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid?

The IUPAC name of methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid (CID 159201393) is methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid.

What is the SMILES notation for methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid?

The canonical SMILES for methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid is C.CC(C)CC(NC(=O)OC(C)(C)C)C(=O)O.COC(=O)c1ccc(N)c(N)c1.COC(=O)c1ccc(N)c(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)c1.COC(=O)c1ccc(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)c(N)c1.COC(=O)c1ccc2nc(C(CC(C)C)NC(=O)Cc3ccc(NC(=O)Nc4ccccc4C)cc3)[nH]c2c1.COC(=O)c1ccc2nc(C(N)CC(C)C)[nH]c2c1.Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NC(CC(C)C)c2nc3ccc(C(=O)O)cc3[nH]2)cc1.Cc1ccccc1NC(=O)Nc1ccc(CC(=O)O)cc1.

What is the InChIKey of methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid?

The InChIKey is KPILCMUYDHNJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O4.C29H31N5O4.2C19H29N3O5.C16H16N2O3.C14H19N3O2.C11H21NO4.C8H10N2O2.CH4/c1-18(2)15-26(28-33-24-14-11-21(29(37)39-4)17-25(24)34-28)32-27(36)16-20-9-12-22(13-10-20)31-30(38)35-23-8-6-5-7-19(23)3;1-17(2)14-25(27-32-23-13-10-20(28(36)37)16-24(23)33-27)31-26(35)15-19-8-11-21(12-9-19)30-29(38)34-22-7-5-4-6-18(22)3;1-11(2)9-15(22-18(25)27-19(3,4)5)16(23)21-14-8-7-12(10-13(14)20)17(24)26-6;1-11(2)9-15(22-18(25)27-19(3,4)5)16(23)21-14-10-12(17(24)26-6)7-8-13(14)20;1-11-4-2-3-5-14(11)18-16(21)17-13-8-6-12(7-9-13)10-15(19)20;1-8(2)6-10(15)13-16-11-5-4-9(14(18)19-3)7-12(11)17-13;1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;1-12-8(11)5-2-3-6(9)7(10)4-5;/h5-14,17-18,26H,15-16H2,1-4H3,(H,32,36)(H,33,34)(H2,31,35,38);4-13,16-17,25H,14-15H2,1-3H3,(H,31,35)(H,32,33)(H,36,37)(H2,30,34,38);2*7-8,10-11,15H,9,20H2,1-6H3,(H,21,23)(H,22,25);2-9H,10H2,1H3,(H,19,20)(H2,17,18,21);4-5,7-8,10H,6,15H2,1-3H3,(H,16,17);7-8H,6H2,1-5H3,(H,12,15)(H,13,14);2-4H,9-10H2,1H3;1H4.

What are the key properties of methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid?

methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid has a molecular weight of 2759.29 g/mol, XLogP of 26.22, 43 rotatable bonds, 24 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methyl 2-(1-amino-3-methylbutyl)-3H-benzimidazole-5-carboxylate;methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 4-amino-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylate;2-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]-3H-benzimidazole-5-carboxylic acid;4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 159201393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).