N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide

C87H97N9O3 — CID 159411379

IUPACN-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)cc1)[C@@H](c1nc2ccccc2n1Cc1ccccc1)C(C)C.CCN(C(=O)c1ccc(C)cc1)[C@@H](c1nc2ccccc2n1Cc1ccccc1)C(C)C.Cc1ccc(C(=O)N(CC2CC2)[C@@H](c2nc3ccccc3n2Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C30H33N3O.C29H33N3O.C28H31N3O/c1-21(2)28(33(20-24-15-16-24)30(34)25-17-13-22(3)14-18-25)29-31-26-11-7-8-12-27(26)32(29)19-23-9-5-4-6-10-23;1-5-19-31(29(33)24-17-15-22(4)16-18-24)27(21(2)3)28-30-25-13-9-10-14-26(25)32(28)20-23-11-7-6-8-12-23;1-5-30(28(32)23-17-15-21(4)16-18-23)26(20(2)3)27-29-24-13-9-10-14-25(24)31(27)19-22-11-7-6-8-12-22/h4-14,17-18,21,24,28H,15-16,19-20H2,1-3H3;6-18,21,27H,5,19-20H2,1-4H3;6-18,20,26H,5,19H2,1-4H3/t28-;27-;26-/m111/s1
InChIKeyLOPSVCCUUSAOHY-XIIZMUINSA-N
MW1316.79 g/mol
LogP19.54
Rot. Bonds23

About N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide

N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide (PubChem CID 159411379) has the molecular formula C87H97N9O3 and a molecular weight of 1316.79 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide
PubChem CID159411379
Molecular FormulaC87H97N9O3
Molecular Weight1316.79 g/mol
Exact Mass1315.77
IUPAC NameN-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)cc1)[C@@H](c1nc2ccccc2n1Cc1ccccc1)C(C)C.CCN(C(=O)c1ccc(C)cc1)[C@@H](c1nc2ccccc2n1Cc1ccccc1)C(C)C.Cc1ccc(C(=O)N(CC2CC2)[C@@H](c2nc3ccccc3n2Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C30H33N3O.C29H33N3O.C28H31N3O/c1-21(2)28(33(20-24-15-16-24)30(34)25-17-13-22(3)14-18-25)29-31-26-11-7-8-12-27(26)32(29)19-23-9-5-4-6-10-23;1-5-19-31(29(33)24-17-15-22(4)16-18-24)27(21(2)3)28-30-25-13-9-10-14-26(25)32(28)20-23-11-7-6-8-12-23;1-5-30(28(32)23-17-15-21(4)16-18-23)26(20(2)3)27-29-24-13-9-10-14-25(24)31(27)19-22-11-7-6-8-12-22/h4-14,17-18,21,24,28H,15-16,19-20H2,1-3H3;6-18,21,27H,5,19-20H2,1-4H3;6-18,20,26H,5,19H2,1-4H3/t28-;27-;26-/m111/s1
InChIKeyLOPSVCCUUSAOHY-XIIZMUINSA-N
XLogP19.54
TPSA114.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001316.79
LogP ≤ 519.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide?
The IUPAC name of N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide (CID 159411379) is N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide?
The canonical SMILES for N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide is CCCN(C(=O)c1ccc(C)cc1)[C@@H](c1nc2ccccc2n1Cc1ccccc1)C(C)C.CCN(C(=O)c1ccc(C)cc1)[C@@H](c1nc2ccccc2n1Cc1ccccc1)C(C)C.Cc1ccc(C(=O)N(CC2CC2)[C@@H](c2nc3ccccc3n2Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide?
The InChIKey is LOPSVCCUUSAOHY-XIIZMUINSA-N. The full InChI is InChI=1S/C30H33N3O.C29H33N3O.C28H31N3O/c1-21(2)28(33(20-24-15-16-24)30(34)25-17-13-22(3)14-18-25)29-31-26-11-7-8-12-27(26)32(29)19-23-9-5-4-6-10-23;1-5-19-31(29(33)24-17-15-22(4)16-18-24)27(21(2)3)28-30-25-13-9-10-14-26(25)32(28)20-23-11-7-6-8-12-23;1-5-30(28(32)23-17-15-21(4)16-18-23)26(20(2)3)27-29-24-13-9-10-14-25(24)31(27)19-22-11-7-6-8-12-22/h4-14,17-18,21,24,28H,15-16,19-20H2,1-3H3;6-18,21,27H,5,19-20H2,1-4H3;6-18,20,26H,5,19H2,1-4H3/t28-;27-;26-/m111/s1.
What are the key properties of N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide?
N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide has a molecular weight of 1316.79 g/mol, XLogP of 19.54, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-(cyclopropylmethyl)-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-N-ethyl-4-methylbenzamide;N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-methyl-N-propylbenzamide is sourced from PubChem (CID 159411379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).