N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide

C12H13N3O — CID 53276569

IUPACN-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
SMILESCc1nc2ccc(NC(=O)C3CC3)cc2[nH]1
InChIInChI=1S/C12H13N3O/c1-7-13-10-5-4-9(6-11(10)14-7)15-12(16)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyKPNXASAJEYFKQW-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.22
Rot. Bonds2

About N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide

N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide (PubChem CID 53276569) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
PubChem CID53276569
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
SMILESCc1nc2ccc(NC(=O)C3CC3)cc2[nH]1
InChIInChI=1S/C12H13N3O/c1-7-13-10-5-4-9(6-11(10)14-7)15-12(16)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyKPNXASAJEYFKQW-UHFFFAOYSA-N
XLogP2.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide
CID 60851207
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 75450140
N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 166218130
N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
CID 84581323
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride
CID 119838375
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide
CID 166197291
2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116675730
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide
CID 142169462

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide (CID 53276569) is N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide is Cc1nc2ccc(NC(=O)C3CC3)cc2[nH]1.
What is the InChIKey of N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide?
The InChIKey is KPNXASAJEYFKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-13-10-5-4-9(6-11(10)14-7)15-12(16)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide?
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide has a molecular weight of 215.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 53276569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).