N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide

C15H20N4O — CID 106980681

IUPACN-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2nc3ccccc3[nH]2)CCNC1
InChIInChI=1S/C15H20N4O/c1-10(2)15(7-8-16-9-15)13(20)19-14-17-11-5-3-4-6-12(11)18-14/h3-6,10,16H,7-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyCFXPATXXAQFGRY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.14
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980681) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980681
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2nc3ccccc3[nH]2)CCNC1
InChIInChI=1S/C15H20N4O/c1-10(2)15(7-8-16-9-15)13(20)19-14-17-11-5-3-4-6-12(11)18-14/h3-6,10,16H,7-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyCFXPATXXAQFGRY-UHFFFAOYSA-N
XLogP2.14
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63562778
N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide
CID 63563740
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 43016841
N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979918
N-(1H-benzimidazol-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975213
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980005
1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide
CID 115442160
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980681) is N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)Nc2nc3ccccc3[nH]2)CCNC1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is CFXPATXXAQFGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)15(7-8-16-9-15)13(20)19-14-17-11-5-3-4-6-12(11)18-14/h3-6,10,16H,7-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).