4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine

C19H23N3 — CID 143959547

IUPAC4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
SMILESCc1cc(C)c(Nc2nc3c(C(C)C)cccc3[nH]2)c(C)c1
InChIInChI=1S/C19H23N3/c1-11(2)15-7-6-8-16-18(15)22-19(20-16)21-17-13(4)9-12(3)10-14(17)5/h6-11H,1-5H3,(H2,20,21,22)
InChIKeyPBYLZPCQSNQYQA-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.36
Rot. Bonds3

About 4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine

4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine (PubChem CID 143959547) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
PubChem CID143959547
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
SMILESCc1cc(C)c(Nc2nc3c(C(C)C)cccc3[nH]2)c(C)c1
InChIInChI=1S/C19H23N3/c1-11(2)15-7-6-8-16-18(15)22-19(20-16)21-17-13(4)9-12(3)10-14(17)5/h6-11H,1-5H3,(H2,20,21,22)
InChIKeyPBYLZPCQSNQYQA-UHFFFAOYSA-N
XLogP5.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-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-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine
CID 143959541
methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate
CID 143959536
N-(2,4,6-trimethylphenyl)-1H-imidazo[4,5-b]pyridin-2-amine
CID 91455813
2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline
CID 129025660
2-(4-propan-2-yl-1H-benzimidazol-2-yl)acetonitrile
CID 84619630
methyl 4-propan-2-yl-1H-benzimidazole-2-carboxylate
CID 135165634
4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 64723101
3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine
CID 84622657
2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720674
1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride
CID 165495037
N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
CID 90942138
6-[6-[6-(2,4,6-trimethylanilino)-2-pyridinyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 132525462

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of 4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine (CID 143959547) is 4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine is Cc1cc(C)c(Nc2nc3c(C(C)C)cccc3[nH]2)c(C)c1.
What is the InChIKey of 4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine?
The InChIKey is PBYLZPCQSNQYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-11(2)15-7-6-8-16-18(15)22-19(20-16)21-17-13(4)9-12(3)10-14(17)5/h6-11H,1-5H3,(H2,20,21,22).
What are the key properties of 4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine?
4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine has a molecular weight of 293.41 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 143959547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).