N-cyclopropyl-1H-benzimidazole-4-carboxamide

C11H11N3O — CID 110700811

IUPACN-cyclopropyl-1H-benzimidazole-4-carboxamide
SMILESO=C(NC1CC1)c1cccc2[nH]cnc12
InChIInChI=1S/C11H11N3O/c15-11(14-7-4-5-7)8-2-1-3-9-10(8)13-6-12-9/h1-3,6-7H,4-5H2,(H,12,13)(H,14,15)
InChIKeyFQNLRZJNNRNICR-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.46
Rot. Bonds2

About N-cyclopropyl-1H-benzimidazole-4-carboxamide

N-cyclopropyl-1H-benzimidazole-4-carboxamide (PubChem CID 110700811) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is N-cyclopropyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1H-benzimidazole-4-carboxamide
PubChem CID110700811
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC NameN-cyclopropyl-1H-benzimidazole-4-carboxamide
SMILESO=C(NC1CC1)c1cccc2[nH]cnc12
InChIInChI=1S/C11H11N3O/c15-11(14-7-4-5-7)8-2-1-3-9-10(8)13-6-12-9/h1-3,6-7H,4-5H2,(H,12,13)(H,14,15)
InChIKeyFQNLRZJNNRNICR-UHFFFAOYSA-N
XLogP1.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1H-benzimidazole-4-carboxylic acid
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N-(3-methylbutyl)-1H-benzimidazole-4-carboxamide
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N-(oxolan-2-ylmethyl)-1H-benzimidazole-4-carboxamide
CID 110700823
bis(1H-benzimidazol-4-yl)methanethione
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N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119385720
N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide
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N-[4-(dimethylamino)phenyl]-1H-benzimidazole-4-carboxamide
CID 110700946
N-(1-azabicyclo[3.3.1]nonan-5-yl)-1H-benzimidazole-4-carboxamide
CID 91341910
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-benzimidazole-4-carboxamide
CID 139011822

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1H-benzimidazole-4-carboxamide (CID 110700811) is N-cyclopropyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1H-benzimidazole-4-carboxamide is O=C(NC1CC1)c1cccc2[nH]cnc12.
What is the InChIKey of N-cyclopropyl-1H-benzimidazole-4-carboxamide?
The InChIKey is FQNLRZJNNRNICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-11(14-7-4-5-7)8-2-1-3-9-10(8)13-6-12-9/h1-3,6-7H,4-5H2,(H,12,13)(H,14,15).
What are the key properties of N-cyclopropyl-1H-benzimidazole-4-carboxamide?
N-cyclopropyl-1H-benzimidazole-4-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 110700811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).