1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide

C16H19N3O — CID 3235939

IUPAC1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)ncn2C1CCCC1
InChIInChI=1S/C16H19N3O/c20-16(18-12-6-7-12)11-5-8-15-14(9-11)17-10-19(15)13-3-1-2-4-13/h5,8-10,12-13H,1-4,6-7H2,(H,18,20)
InChIKeyCZZJIBJHFKXWRW-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.04
Rot. Bonds3

About 1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide

1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide (PubChem CID 3235939) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide
PubChem CID3235939
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)ncn2C1CCCC1
InChIInChI=1S/C16H19N3O/c20-16(18-12-6-7-12)11-5-8-15-14(9-11)17-10-19(15)13-3-1-2-4-13/h5,8-10,12-13H,1-4,6-7H2,(H,18,20)
InChIKeyCZZJIBJHFKXWRW-UHFFFAOYSA-N
XLogP3.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide (CID 3235939) is 1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide is O=C(NC1CC1)c1ccc2c(c1)ncn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide?
The InChIKey is CZZJIBJHFKXWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(18-12-6-7-12)11-5-8-15-14(9-11)17-10-19(15)13-3-1-2-4-13/h5,8-10,12-13H,1-4,6-7H2,(H,18,20).
What are the key properties of 1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide?
1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-cyclopropylbenzimidazole-5-carboxamide is sourced from PubChem (CID 3235939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).