2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

C15H17N3O3 — CID 119179377

IUPAC2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCn1c(NC(=O)C2CC2C(=O)O)nc2ccccc21
InChIInChI=1S/C15H17N3O3/c1-2-7-18-12-6-4-3-5-11(12)16-15(18)17-13(19)9-8-10(9)14(20)21/h3-6,9-10H,2,7-8H2,1H3,(H,20,21)(H,16,17,19)
InChIKeyLSGRXMGXOMTWDO-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.11
Rot. Bonds5

About 2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119179377) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119179377
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCn1c(NC(=O)C2CC2C(=O)O)nc2ccccc21
InChIInChI=1S/C15H17N3O3/c1-2-7-18-12-6-4-3-5-11(12)16-15(18)17-13(19)9-8-10(9)14(20)21/h3-6,9-10H,2,7-8H2,1H3,(H,20,21)(H,16,17,19)
InChIKeyLSGRXMGXOMTWDO-UHFFFAOYSA-N
XLogP2.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 34052499
N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119265093
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 36809640
(3S)-1-oxo-N-(1-propylbenzimidazol-2-yl)-3,4-dihydroisochromene-3-carboxamide
CID 25324880
(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide
CID 38011370
2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
CID 119265100
5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60525157
(2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 136580553
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
(3R)-1-cyclopentyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25346487

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 119179377) is 2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is CCCn1c(NC(=O)C2CC2C(=O)O)nc2ccccc21.
What is the InChIKey of 2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is LSGRXMGXOMTWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-7-18-12-6-4-3-5-11(12)16-15(18)17-13(19)9-8-10(9)14(20)21/h3-6,9-10H,2,7-8H2,1H3,(H,20,21)(H,16,17,19).
What are the key properties of 2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119179377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).