3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide

C15H20N4O — CID 66899261

IUPAC3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide
SMILESCCn1c(C2CCCN2C)nc2ccc(C(N)=O)cc21
InChIInChI=1S/C15H20N4O/c1-3-19-13-9-10(14(16)20)6-7-11(13)17-15(19)12-5-4-8-18(12)2/h6-7,9,12H,3-5,8H2,1-2H3,(H2,16,20)
InChIKeyFKZXUQDHKGBVPD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.92
Rot. Bonds3

About 3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide

3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide (PubChem CID 66899261) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide
PubChem CID66899261
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide
SMILESCCn1c(C2CCCN2C)nc2ccc(C(N)=O)cc21
InChIInChI=1S/C15H20N4O/c1-3-19-13-9-10(14(16)20)6-7-11(13)17-15(19)12-5-4-8-18(12)2/h6-7,9,12H,3-5,8H2,1-2H3,(H2,16,20)
InChIKeyFKZXUQDHKGBVPD-UHFFFAOYSA-N
XLogP1.92
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide (CID 66899261) is 3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide is CCn1c(C2CCCN2C)nc2ccc(C(N)=O)cc21.
What is the InChIKey of 3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide?
The InChIKey is FKZXUQDHKGBVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-19-13-9-10(14(16)20)6-7-11(13)17-15(19)12-5-4-8-18(12)2/h6-7,9,12H,3-5,8H2,1-2H3,(H2,16,20).
What are the key properties of 3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide?
3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 66899261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).