2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide

C17H17N5O — CID 138993592

IUPAC2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccncc1)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N5O/c23-17(19-12-7-9-18-10-8-12)22-11-3-6-15(22)16-20-13-4-1-2-5-14(13)21-16/h1-2,4-5,7-10,15H,3,6,11H2,(H,20,21)(H,18,19,23)
InChIKeyFCYCWPLFRKIJCZ-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.33
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide

2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 138993592) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID138993592
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccncc1)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N5O/c23-17(19-12-7-9-18-10-8-12)22-11-3-6-15(22)16-20-13-4-1-2-5-14(13)21-16/h1-2,4-5,7-10,15H,3,6,11H2,(H,20,21)(H,18,19,23)
InChIKeyFCYCWPLFRKIJCZ-UHFFFAOYSA-N
XLogP3.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 3231348
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 51269960
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 128834600
(2S)-2-(1H-benzimidazol-2-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxamide
CID 125144818
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 124874532
(2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 97434031
2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 175073604

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide (CID 138993592) is 2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide is O=C(Nc1ccncc1)N1CCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is FCYCWPLFRKIJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(19-12-7-9-18-10-8-12)22-11-3-6-15(22)16-20-13-4-1-2-5-14(13)21-16/h1-2,4-5,7-10,15H,3,6,11H2,(H,20,21)(H,18,19,23).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 138993592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).