N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine

C15H19N3 — CID 43746332

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCC3CC=CCC3)cc2[nH]1
InChIInChI=1S/C15H19N3/c1-11-17-14-8-7-13(9-15(14)18-11)16-10-12-5-3-2-4-6-12/h2-3,7-9,12,16H,4-6,10H2,1H3,(H,17,18)
InChIKeySUUJVIXURNHDHJ-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.64
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine

N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine (PubChem CID 43746332) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
PubChem CID43746332
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCC3CC=CCC3)cc2[nH]1
InChIInChI=1S/C15H19N3/c1-11-17-14-8-7-13(9-15(14)18-11)16-10-12-5-3-2-4-6-12/h2-3,7-9,12,16H,4-6,10H2,1H3,(H,17,18)
InChIKeySUUJVIXURNHDHJ-UHFFFAOYSA-N
XLogP3.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclohex-3-en-1-ylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine (CID 43746332) is N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine is Cc1nc2ccc(NCC3CC=CCC3)cc2[nH]1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is SUUJVIXURNHDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-17-14-8-7-13(9-15(14)18-11)16-10-12-5-3-2-4-6-12/h2-3,7-9,12,16H,4-6,10H2,1H3,(H,17,18).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine?
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 241.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 43746332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).