3-cyclopropyl-N-methylbenzimidazole-4-carboxamide

C12H13N3O — CID 67433023

IUPAC3-cyclopropyl-N-methylbenzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2ncn(C3CC3)c12
InChIInChI=1S/C12H13N3O/c1-13-12(16)9-3-2-4-10-11(9)15(7-14-10)8-5-6-8/h2-4,7-8H,5-6H2,1H3,(H,13,16)
InChIKeyDUOBPDLOBBKWDI-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.73
Rot. Bonds2

About 3-cyclopropyl-N-methylbenzimidazole-4-carboxamide

3-cyclopropyl-N-methylbenzimidazole-4-carboxamide (PubChem CID 67433023) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-cyclopropyl-N-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-methylbenzimidazole-4-carboxamide
PubChem CID67433023
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-cyclopropyl-N-methylbenzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2ncn(C3CC3)c12
InChIInChI=1S/C12H13N3O/c1-13-12(16)9-3-2-4-10-11(9)15(7-14-10)8-5-6-8/h2-4,7-8H,5-6H2,1H3,(H,13,16)
InChIKeyDUOBPDLOBBKWDI-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methylbenzimidazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-methylbenzimidazole-4-carboxamide (CID 67433023) is 3-cyclopropyl-N-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-methylbenzimidazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-methylbenzimidazole-4-carboxamide is CNC(=O)c1cccc2ncn(C3CC3)c12.
What is the InChIKey of 3-cyclopropyl-N-methylbenzimidazole-4-carboxamide?
The InChIKey is DUOBPDLOBBKWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-13-12(16)9-3-2-4-10-11(9)15(7-14-10)8-5-6-8/h2-4,7-8H,5-6H2,1H3,(H,13,16).
What are the key properties of 3-cyclopropyl-N-methylbenzimidazole-4-carboxamide?
3-cyclopropyl-N-methylbenzimidazole-4-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 67433023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).