N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine

C15H19N3 — CID 61308992

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC3CC4CCC3C4)cc2[nH]1
InChIInChI=1S/C15H19N3/c1-9-16-13-5-4-12(8-15(13)17-9)18-14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,18H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyIQYJHKQSQKIVFP-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.47
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine

N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine (PubChem CID 61308992) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine
PubChem CID61308992
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC3CC4CCC3C4)cc2[nH]1
InChIInChI=1S/C15H19N3/c1-9-16-13-5-4-12(8-15(13)17-9)18-14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,18H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyIQYJHKQSQKIVFP-UHFFFAOYSA-N
XLogP3.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-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

N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine
CID 104872058
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine
CID 113361498
N-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
CID 80706215
2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine
CID 65091300
N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
CID 79860507
2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine
CID 65082102
N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 62810365
N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine (CID 61308992) is N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine is Cc1nc2ccc(NC3CC4CCC3C4)cc2[nH]1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is IQYJHKQSQKIVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-9-16-13-5-4-12(8-15(13)17-9)18-14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,18H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine?
N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 241.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 61308992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).