[1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone

C19H19N3O — CID 71307833

IUPAC[1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CCCC4)ccc32)c1
InChIInChI=1S/C19H19N3O/c1-14-5-4-6-16(11-14)22-13-20-17-12-15(7-8-18(17)22)19(23)21-9-2-3-10-21/h4-8,11-13H,2-3,9-10H2,1H3
InChIKeyVZDMERGOBYCUJR-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.57
Rot. Bonds2

About [1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone

[1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71307833) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is [1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID71307833
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name[1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CCCC4)ccc32)c1
InChIInChI=1S/C19H19N3O/c1-14-5-4-6-16(11-14)22-13-20-17-12-15(7-8-18(17)22)19(23)21-9-2-3-10-21/h4-8,11-13H,2-3,9-10H2,1H3
InChIKeyVZDMERGOBYCUJR-UHFFFAOYSA-N
XLogP3.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone (CID 71307833) is [1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone is Cc1cccc(-n2cnc3cc(C(=O)N4CCCC4)ccc32)c1.
What is the InChIKey of [1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VZDMERGOBYCUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-5-4-6-16(11-14)22-13-20-17-12-15(7-8-18(17)22)19(23)21-9-2-3-10-21/h4-8,11-13H,2-3,9-10H2,1H3.
What are the key properties of [1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
[1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 305.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71307833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).