[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

C21H24N4O — CID 155486473

IUPAC[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)Cn1c(C2CCCN2C(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C21H24N4O/c1-15(2)14-25-18-9-4-3-8-17(18)23-20(25)19-10-6-12-24(19)21(26)16-7-5-11-22-13-16/h3-5,7-9,11,13,15,19H,6,10,12,14H2,1-2H3
InChIKeyULKQRHXMJSYFHA-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.06
Rot. Bonds4

About [2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 155486473) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID155486473
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)Cn1c(C2CCCN2C(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C21H24N4O/c1-15(2)14-25-18-9-4-3-8-17(18)23-20(25)19-10-6-12-24(19)21(26)16-7-5-11-22-13-16/h3-5,7-9,11,13,15,19H,6,10,12,14H2,1-2H3
InChIKeyULKQRHXMJSYFHA-UHFFFAOYSA-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

[(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91639137
N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 91822886
5-[(2S)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124684072
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
4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 95278101
1-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 53003193
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 124592970
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 52851870
2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 26864495
(4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 60620906
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92721055

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 155486473) is [2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is CC(C)Cn1c(C2CCCN2C(=O)c2cccnc2)nc2ccccc21.
What is the InChIKey of [2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is ULKQRHXMJSYFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(2)14-25-18-9-4-3-8-17(18)23-20(25)19-10-6-12-24(19)21(26)16-7-5-11-22-13-16/h3-5,7-9,11,13,15,19H,6,10,12,14H2,1-2H3.
What are the key properties of [2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-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 [2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 155486473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).