2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid

C13H13N3O3 — CID 115165335

IUPAC2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCn1cnc2cc(NC(=O)C3CC3C(=O)O)ccc21
InChIInChI=1S/C13H13N3O3/c1-16-6-14-10-4-7(2-3-11(10)16)15-12(17)8-5-9(8)13(18)19/h2-4,6,8-9H,5H2,1H3,(H,15,17)(H,18,19)
InChIKeyDWAYYMBZBGIRNV-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.23
Rot. Bonds3

About 2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 115165335) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID115165335
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCn1cnc2cc(NC(=O)C3CC3C(=O)O)ccc21
InChIInChI=1S/C13H13N3O3/c1-16-6-14-10-4-7(2-3-11(10)16)15-12(17)8-5-9(8)13(18)19/h2-4,6,8-9H,5H2,1H3,(H,15,17)(H,18,19)
InChIKeyDWAYYMBZBGIRNV-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
(1-methylbenzimidazol-5-yl)urea
CID 12521213
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
cis-(1R,2S)-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129401772
2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 115165334
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975675
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
cis-(1S,2R)-2-[(4-bromo-3-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320575
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
cis-(1R,2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124623368

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 115165335) is 2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid is Cn1cnc2cc(NC(=O)C3CC3C(=O)O)ccc21.
What is the InChIKey of 2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is DWAYYMBZBGIRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-16-6-14-10-4-7(2-3-11(10)16)15-12(17)8-5-9(8)13(18)19/h2-4,6,8-9H,5H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115165335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).