N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide

C13H16N4O — CID 63562778

IUPACN-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2nc3ccccc3[nH]2)CCNC1
InChIInChI=1S/C13H16N4O/c1-13(6-7-14-8-13)11(18)17-12-15-9-4-2-3-5-10(9)16-12/h2-5,14H,6-8H2,1H3,(H2,15,16,17,18)
InChIKeyFHMJOVWQQFRFGM-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.50
Rot. Bonds2

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

N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 63562778) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide
PubChem CID63562778
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2nc3ccccc3[nH]2)CCNC1
InChIInChI=1S/C13H16N4O/c1-13(6-7-14-8-13)11(18)17-12-15-9-4-2-3-5-10(9)16-12/h2-5,14H,6-8H2,1H3,(H2,15,16,17,18)
InChIKeyFHMJOVWQQFRFGM-UHFFFAOYSA-N
XLogP1.50
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980681
N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 43016841
N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide
CID 63563740
1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide
CID 115442160
N-(1H-benzimidazol-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975213
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141111
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
CID 8849903
3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 63141010
3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 63141494
N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide
CID 72863494

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide (CID 63562778) is N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)Nc2nc3ccccc3[nH]2)CCNC1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is FHMJOVWQQFRFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-13(6-7-14-8-13)11(18)17-12-15-9-4-2-3-5-10(9)16-12/h2-5,14H,6-8H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide?
N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.50, 2 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-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63562778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).