N-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine

C18H21N3 — CID 18414685

IUPACN-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine
SMILESCc1cccc(C)c1CNc1cccc2c1nc(C)n2C
InChIInChI=1S/C18H21N3/c1-12-7-5-8-13(2)15(12)11-19-16-9-6-10-17-18(16)20-14(3)21(17)4/h5-10,19H,11H2,1-4H3
InChIKeyBCTONXHZFGFJIT-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.11
Rot. Bonds3

About N-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine

N-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine (PubChem CID 18414685) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine
PubChem CID18414685
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine
SMILESCc1cccc(C)c1CNc1cccc2c1nc(C)n2C
InChIInChI=1S/C18H21N3/c1-12-7-5-8-13(2)15(12)11-19-16-9-6-10-17-18(16)20-14(3)21(17)4/h5-10,19H,11H2,1-4H3
InChIKeyBCTONXHZFGFJIT-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-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-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine (CID 18414685) is N-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine is Cc1cccc(C)c1CNc1cccc2c1nc(C)n2C.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine?
The InChIKey is BCTONXHZFGFJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12-7-5-8-13(2)15(12)11-19-16-9-6-10-17-18(16)20-14(3)21(17)4/h5-10,19H,11H2,1-4H3.
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine?
N-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine has a molecular weight of 279.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-1,2-dimethylbenzimidazol-4-amine is sourced from PubChem (CID 18414685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).