2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine

C14H19N3 — CID 114112055

IUPAC2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine
SMILESCCCC1CC1n1c(C)nc2cc(N)ccc21
InChIInChI=1S/C14H19N3/c1-3-4-10-7-14(10)17-9(2)16-12-8-11(15)5-6-13(12)17/h5-6,8,10,14H,3-4,7,15H2,1-2H3
InChIKeyFSYKYSJJSQHYHN-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.29
Rot. Bonds3

About 2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine

2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine (PubChem CID 114112055) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine
PubChem CID114112055
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine
SMILESCCCC1CC1n1c(C)nc2cc(N)ccc21
InChIInChI=1S/C14H19N3/c1-3-4-10-7-14(10)17-9(2)16-12-8-11(15)5-6-13(12)17/h5-6,8,10,14H,3-4,7,15H2,1-2H3
InChIKeyFSYKYSJJSQHYHN-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(2-propylcyclopropyl)benzimidazole-5-carboxylic acid
CID 114111956
2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 62506404
1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
CID 62506898
2-methylbenzimidazole-1,5-diamine
CID 83418174
1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine
CID 114541151
4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one
CID 106186996
2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
CID 62842817
1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine
CID 114541143
1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497929
1-cycloheptyl-2-propylbenzimidazol-5-amine
CID 62507199
1-cyclohexyl-2-propylbenzimidazol-5-amine
CID 62507665
1-cyclooctyl-2-propylbenzimidazol-5-amine
CID 63497748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine?
The IUPAC name of 2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine (CID 114112055) is 2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine?
The canonical SMILES for 2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine is CCCC1CC1n1c(C)nc2cc(N)ccc21.
What is the InChIKey of 2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine?
The InChIKey is FSYKYSJJSQHYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-4-10-7-14(10)17-9(2)16-12-8-11(15)5-6-13(12)17/h5-6,8,10,14H,3-4,7,15H2,1-2H3.
What are the key properties of 2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine?
2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine is sourced from PubChem (CID 114112055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).