N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide

C12H13N3O — CID 110728508

IUPACN-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
SMILESCn1cnc2cc(NC(=O)C3CC3)ccc21
InChIInChI=1S/C12H13N3O/c1-15-7-13-10-6-9(4-5-11(10)15)14-12(16)8-2-3-8/h4-8H,2-3H2,1H3,(H,14,16)
InChIKeyPGYCQKSOLHUREN-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.92
Rot. Bonds2

About N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide

N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide (PubChem CID 110728508) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
PubChem CID110728508
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
SMILESCn1cnc2cc(NC(=O)C3CC3)ccc21
InChIInChI=1S/C12H13N3O/c1-15-7-13-10-6-9(4-5-11(10)15)14-12(16)8-2-3-8/h4-8H,2-3H2,1H3,(H,14,16)
InChIKeyPGYCQKSOLHUREN-UHFFFAOYSA-N
XLogP1.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115165335
(1-methylbenzimidazol-5-yl)urea
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N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
N-(1-methylbenzimidazol-5-yl)morpholine-4-carboxamide
CID 110869159
N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 52901021
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide
CID 115186851
N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779100
3-methyl-N-(1-methylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 112527462
(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82341526
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide (CID 110728508) is N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide is Cn1cnc2cc(NC(=O)C3CC3)ccc21.
What is the InChIKey of N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide?
The InChIKey is PGYCQKSOLHUREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15-7-13-10-6-9(4-5-11(10)15)14-12(16)8-2-3-8/h4-8H,2-3H2,1H3,(H,14,16).
What are the key properties of N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide?
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 110728508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).