[(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C21H24N4O — CID 91639137

IUPAC[(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)Cn1c([C@@H]2CCCN2C(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C21H24N4O/c1-15(2)14-25-18-10-4-3-8-16(18)23-20(25)19-11-7-13-24(19)21(26)17-9-5-6-12-22-17/h3-6,8-10,12,15,19H,7,11,13-14H2,1-2H3/t19-/m0/s1
InChIKeyFWANYMWVCKPSFY-IBGZPJMESA-N
MW348.45 g/mol
LogP4.06
Rot. Bonds4

About [(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

[(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 91639137) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID91639137
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)Cn1c([C@@H]2CCCN2C(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C21H24N4O/c1-15(2)14-25-18-10-4-3-8-16(18)23-20(25)19-11-7-13-24(19)21(26)17-9-5-6-12-22-17/h3-6,8-10,12,15,19H,7,11,13-14H2,1-2H3/t19-/m0/s1
InChIKeyFWANYMWVCKPSFY-IBGZPJMESA-N
XLogP4.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 155486473
N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 91822886
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 52851870
1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92735820
N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide
CID 17027862
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 124592970
1-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 53003193
5-[(2S)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124684072
2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 26864495
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92721055
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
1-[(2S)-2-[1-(cyclohexylmethyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 97259770

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 91639137) is [(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is CC(C)Cn1c([C@@H]2CCCN2C(=O)c2ccccn2)nc2ccccc21.
What is the InChIKey of [(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is FWANYMWVCKPSFY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(2)14-25-18-10-4-3-8-16(18)23-20(25)19-11-7-13-24(19)21(26)17-9-5-6-12-22-17/h3-6,8-10,12,15,19H,7,11,13-14H2,1-2H3/t19-/m0/s1.
What are the key properties of [(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 348.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 91639137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).