2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide

C20H26N6O2 — CID 110163696

IUPAC2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide
SMILESCc1nccn1[C@@H]1CC[C@@H](NC(=O)CN(C)Cc2nc3ccccc3[nH]2)[C@H]1O
InChIInChI=1S/C20H26N6O2/c1-13-21-9-10-26(13)17-8-7-16(20(17)28)24-19(27)12-25(2)11-18-22-14-5-3-4-6-15(14)23-18/h3-6,9-10,16-17,20,28H,7-8,11-12H2,1-2H3,(H,22,23)(H,24,27)/t16-,17-,20-/m1/s1
InChIKeyJBIRKYIIJXQRLI-MBOZVWFJSA-N
MW382.47 g/mol
LogP1.38
Rot. Bonds6

About 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide

2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide (PubChem CID 110163696) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide
PubChem CID110163696
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide
SMILESCc1nccn1[C@@H]1CC[C@@H](NC(=O)CN(C)Cc2nc3ccccc3[nH]2)[C@H]1O
InChIInChI=1S/C20H26N6O2/c1-13-21-9-10-26(13)17-8-7-16(20(17)28)24-19(27)12-25(2)11-18-22-14-5-3-4-6-15(14)23-18/h3-6,9-10,16-17,20,28H,7-8,11-12H2,1-2H3,(H,22,23)(H,24,27)/t16-,17-,20-/m1/s1
InChIKeyJBIRKYIIJXQRLI-MBOZVWFJSA-N
XLogP1.38
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide
CID 110163679
N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclohexyl]-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 110163748
3-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclohexyl]-N-methylpropanamide
CID 110163741
1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
CID 38220835
1-[(3R,4R)-1-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]acetyl]-4-hydroxypyrrolidin-3-yl]pyrrolo[2,3-b]pyridine-4-carboxamide
CID 110160480
N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide
CID 110467360
2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
CID 102636442
N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1H-benzimidazol-2-ylmethyl)-N-methylacetamide
CID 92854492
N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 110127252
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 36516329
(4R)-N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethyl-2-oxopiperidine-4-carboxamide
CID 94037007

Frequently Asked Questions

What is the IUPAC name of 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide?
The IUPAC name of 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide (CID 110163696) is 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide.
What is the SMILES notation for 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide?
The canonical SMILES for 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide is Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CN(C)Cc2nc3ccccc3[nH]2)[C@H]1O.
What is the InChIKey of 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide?
The InChIKey is JBIRKYIIJXQRLI-MBOZVWFJSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-13-21-9-10-26(13)17-8-7-16(20(17)28)24-19(27)12-25(2)11-18-22-14-5-3-4-6-15(14)23-18/h3-6,9-10,16-17,20,28H,7-8,11-12H2,1-2H3,(H,22,23)(H,24,27)/t16-,17-,20-/m1/s1.
What are the key properties of 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide?
2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide has a molecular weight of 382.47 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-benzimidazol-2-ylmethyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]acetamide is sourced from PubChem (CID 110163696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).