pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide

C146H147N15O17 — CID 159730234

IUPACpentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide
SMILESCC(C)CC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CC(C)CCC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CCOCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.COCCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.Cc1nc2cc(C(=O)NC3(c4cccc(C(C)C)c4)CCCC3)ccc2n1Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C36H37N3O.C28H31N3O.C27H29N3O.2C25H25N3O2.5CO2/c1-25(2)30-12-9-13-32(22-30)36(20-7-8-21-36)38-35(40)31-18-19-34-33(23-31)37-26(3)39(34)24-27-14-16-29(17-15-27)28-10-5-4-6-11-28;1-20(2)9-10-21(3)30-28(32)25-15-16-27-26(17-25)29-19-31(27)18-22-11-13-24(14-12-22)23-7-5-4-6-8-23;1-19(2)15-20(3)29-27(31)24-13-14-26-25(16-24)28-18-30(26)17-21-9-11-23(12-10-21)22-7-5-4-6-8-22;1-30-15-5-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-3-2-4-7-20;1-2-30-15-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20;5*2-1-3/h4-6,9-19,22-23,25H,7-8,20-21,24H2,1-3H3,(H,38,40);4-8,11-17,19-21H,9-10,18H2,1-3H3,(H,30,32);4-14,16,18-20H,15,17H2,1-3H3,(H,29,31);2-4,6-13,16,18H,5,14-15,17H2,1H3,(H,26,29);3-13,16,18H,2,14-15,17H2,1H3,(H,26,29);;;;;
InChIKeyNBDMDUCJBQLERZ-UHFFFAOYSA-N
MW2383.87 g/mol
LogP26.72
Rot. Bonds38

About pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide

pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide (PubChem CID 159730234) has the molecular formula C146H147N15O17 and a molecular weight of 2383.87 g/mol. Its IUPAC name is pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Namepentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide
PubChem CID159730234
Molecular FormulaC146H147N15O17
Molecular Weight2383.87 g/mol
Exact Mass2382.11
IUPAC Namepentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide
SMILESCC(C)CC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CC(C)CCC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CCOCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.COCCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.Cc1nc2cc(C(=O)NC3(c4cccc(C(C)C)c4)CCCC3)ccc2n1Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C36H37N3O.C28H31N3O.C27H29N3O.2C25H25N3O2.5CO2/c1-25(2)30-12-9-13-32(22-30)36(20-7-8-21-36)38-35(40)31-18-19-34-33(23-31)37-26(3)39(34)24-27-14-16-29(17-15-27)28-10-5-4-6-11-28;1-20(2)9-10-21(3)30-28(32)25-15-16-27-26(17-25)29-19-31(27)18-22-11-13-24(14-12-22)23-7-5-4-6-8-23;1-19(2)15-20(3)29-27(31)24-13-14-26-25(16-24)28-18-30(26)17-21-9-11-23(12-10-21)22-7-5-4-6-8-22;1-30-15-5-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-3-2-4-7-20;1-2-30-15-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20;5*2-1-3/h4-6,9-19,22-23,25H,7-8,20-21,24H2,1-3H3,(H,38,40);4-8,11-17,19-21H,9-10,18H2,1-3H3,(H,30,32);4-14,16,18-20H,15,17H2,1-3H3,(H,29,31);2-4,6-13,16,18H,5,14-15,17H2,1H3,(H,26,29);3-13,16,18H,2,14-15,17H2,1H3,(H,26,29);;;;;
InChIKeyNBDMDUCJBQLERZ-UHFFFAOYSA-N
XLogP26.72
TPSA423.76 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds38
Heavy Atoms178
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002383.87
LogP ≤ 526.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide?
The IUPAC name of pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide (CID 159730234) is pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide.
What is the SMILES notation for pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide?
The canonical SMILES for pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide is CC(C)CC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CC(C)CCC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CCOCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.COCCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.Cc1nc2cc(C(=O)NC3(c4cccc(C(C)C)c4)CCCC3)ccc2n1Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide?
The InChIKey is NBDMDUCJBQLERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3O.C28H31N3O.C27H29N3O.2C25H25N3O2.5CO2/c1-25(2)30-12-9-13-32(22-30)36(20-7-8-21-36)38-35(40)31-18-19-34-33(23-31)37-26(3)39(34)24-27-14-16-29(17-15-27)28-10-5-4-6-11-28;1-20(2)9-10-21(3)30-28(32)25-15-16-27-26(17-25)29-19-31(27)18-22-11-13-24(14-12-22)23-7-5-4-6-8-23;1-19(2)15-20(3)29-27(31)24-13-14-26-25(16-24)28-18-30(26)17-21-9-11-23(12-10-21)22-7-5-4-6-8-22;1-30-15-5-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-3-2-4-7-20;1-2-30-15-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20;5*2-1-3/h4-6,9-19,22-23,25H,7-8,20-21,24H2,1-3H3,(H,38,40);4-8,11-17,19-21H,9-10,18H2,1-3H3,(H,30,32);4-14,16,18-20H,15,17H2,1-3H3,(H,29,31);2-4,6-13,16,18H,5,14-15,17H2,1H3,(H,26,29);3-13,16,18H,2,14-15,17H2,1H3,(H,26,29);;;;;.
What are the key properties of pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide?
pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide has a molecular weight of 2383.87 g/mol, XLogP of 26.72, 38 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 159730234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).