2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid

C12H11N3O3 — CID 115165334

IUPAC2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H11N3O3/c16-11(7-4-8(7)12(17)18)15-6-1-2-9-10(3-6)14-5-13-9/h1-3,5,7-8H,4H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyWNQYFSJEZDMETL-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.22
Rot. Bonds3

About 2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid

2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 115165334) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID115165334
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H11N3O3/c16-11(7-4-8(7)12(17)18)15-6-1-2-9-10(3-6)14-5-13-9/h1-3,5,7-8H,4H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyWNQYFSJEZDMETL-UHFFFAOYSA-N
XLogP1.22
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 115177562
(3S)-N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51972953
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
N-(3H-benzimidazol-5-yl)prop-2-enamide
CID 4318258
cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
3-(3H-benzimidazol-5-ylcarbamoyl)oxetane-3-carboxylic acid
CID 115184912
(E)-N-(3H-benzimidazol-5-yl)-3-hydroxy-2-nitrosobut-2-enamide
CID 166844884
2-[3H-benzimidazol-5-yl(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953841
1-(3H-benzimidazol-5-yl)-3-(4-iodophenyl)urea
CID 108886002

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 115165334) is 2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of 2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is WNQYFSJEZDMETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c16-11(7-4-8(7)12(17)18)15-6-1-2-9-10(3-6)14-5-13-9/h1-3,5,7-8H,4H2,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115165334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).