2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide

C23H26N4O — CID 139000386

IUPAC2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1ccc2nc(C3CCCN3C(=O)NCC3(c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C23H26N4O/c1-16-9-10-18-19(14-16)26-21(25-18)20-8-5-13-27(20)22(28)24-15-23(11-12-23)17-6-3-2-4-7-17/h2-4,6-7,9-10,14,20H,5,8,11-13,15H2,1H3,(H,24,28)(H,25,26)
InChIKeyKUQOGTHBQVWRPJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.45
Rot. Bonds4

About 2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide

2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 139000386) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide
PubChem CID139000386
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1ccc2nc(C3CCCN3C(=O)NCC3(c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C23H26N4O/c1-16-9-10-18-19(14-16)26-21(25-18)20-8-5-13-27(20)22(28)24-15-23(11-12-23)17-6-3-2-4-7-17/h2-4,6-7,9-10,14,20H,5,8,11-13,15H2,1H3,(H,24,28)(H,25,26)
InChIKeyKUQOGTHBQVWRPJ-UHFFFAOYSA-N
XLogP4.45
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 49118752
cis-(1S,3R)-2,2-dimethyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122065924
isoquinolin-1-yl-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 60612000
[1-(methoxymethyl)cyclobutyl]-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 96577916
1-(furan-2-yl)-2-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione
CID 99996532
4-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 94876669
2-[4-(hydroxymethyl)phenyl]-1-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95871688
3-ethoxy-1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 70753192
5-methyl-4-[2-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-dihydropyrazol-3-one
CID 91828476
1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 48997075
N-tert-butyl-2-(6-phenyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
CID 141292306
3-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propanoic acid
CID 95725718

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide (CID 139000386) is 2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide is Cc1ccc2nc(C3CCCN3C(=O)NCC3(c4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of 2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is KUQOGTHBQVWRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-9-10-18-19(14-16)26-21(25-18)20-8-5-13-27(20)22(28)24-15-23(11-12-23)17-6-3-2-4-7-17/h2-4,6-7,9-10,14,20H,5,8,11-13,15H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide?
2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 139000386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).