2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine

C11H13N3 — CID 91442078

IUPAC2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine
SMILESCNc1cccc2[nH]c(C3CC3)nc12
InChIInChI=1S/C11H13N3/c1-12-8-3-2-4-9-10(8)14-11(13-9)7-5-6-7/h2-4,7,12H,5-6H2,1H3,(H,13,14)
InChIKeyDDDVKLDSMGVJJL-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.48
Rot. Bonds2

About 2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine

2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine (PubChem CID 91442078) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine
PubChem CID91442078
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine
SMILESCNc1cccc2[nH]c(C3CC3)nc12
InChIInChI=1S/C11H13N3/c1-12-8-3-2-4-9-10(8)14-11(13-9)7-5-6-7/h2-4,7,12H,5-6H2,1H3,(H,13,14)
InChIKeyDDDVKLDSMGVJJL-UHFFFAOYSA-N
XLogP2.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-4-ethyl-1H-benzimidazole
CID 91216645
2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine
CID 170958607
4-methyl-2-piperidin-4-yl-1H-benzimidazole
CID 18761517
2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 70238368
cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 106322532
4-fluoro-2-piperidin-4-yl-1H-benzimidazole
CID 54592970
N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide
CID 54133294
2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
CID 10221158
4-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 82007515
methyl 2-(oxan-4-yl)-1H-benzimidazole-4-carboxylate
CID 113293378
3-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 66030987
2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
CID 22718147

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine (CID 91442078) is 2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine is CNc1cccc2[nH]c(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine?
The InChIKey is DDDVKLDSMGVJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-12-8-3-2-4-9-10(8)14-11(13-9)7-5-6-7/h2-4,7,12H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine?
2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine has a molecular weight of 187.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine is sourced from PubChem (CID 91442078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).