N-cyclopropyl-3-methylbenzimidazole-5-carboxamide

C12H13N3O — CID 110469101

IUPACN-cyclopropyl-3-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2ccc(C(=O)NC3CC3)cc21
InChIInChI=1S/C12H13N3O/c1-15-7-13-10-5-2-8(6-11(10)15)12(16)14-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,14,16)
InChIKeyPTAXZZWJGFRLCO-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.47
Rot. Bonds2

About N-cyclopropyl-3-methylbenzimidazole-5-carboxamide

N-cyclopropyl-3-methylbenzimidazole-5-carboxamide (PubChem CID 110469101) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-cyclopropyl-3-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methylbenzimidazole-5-carboxamide
PubChem CID110469101
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-cyclopropyl-3-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2ccc(C(=O)NC3CC3)cc21
InChIInChI=1S/C12H13N3O/c1-15-7-13-10-5-2-8(6-11(10)15)12(16)14-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,14,16)
InChIKeyPTAXZZWJGFRLCO-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide
CID 128877935
1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide
CID 99696199
3-methylbenzimidazole-5-carboxamide
CID 21105052
N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469182
N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide
CID 110469142
N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide
CID 53015892
3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide
CID 110469115
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
CID 110469163
azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469131
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-methylbenzimidazole-5-carboxamide (CID 110469101) is N-cyclopropyl-3-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-methylbenzimidazole-5-carboxamide is Cn1cnc2ccc(C(=O)NC3CC3)cc21.
What is the InChIKey of N-cyclopropyl-3-methylbenzimidazole-5-carboxamide?
The InChIKey is PTAXZZWJGFRLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15-7-13-10-5-2-8(6-11(10)15)12(16)14-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-3-methylbenzimidazole-5-carboxamide?
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110469101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).