N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine

C16H17N3 — CID 923999

IUPACN-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
SMILESCCc1cccc(C)c1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C16H17N3/c1-3-12-8-6-7-11(2)15(12)19-16-17-13-9-4-5-10-14(13)18-16/h4-10H,3H2,1-2H3,(H2,17,18,19)
InChIKeyOFJPEBBOWSNULC-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.18
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine

N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine (PubChem CID 923999) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
PubChem CID923999
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
SMILESCCc1cccc(C)c1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C16H17N3/c1-3-12-8-6-7-11(2)15(12)19-16-17-13-9-4-5-10-14(13)18-16/h4-10H,3H2,1-2H3,(H2,17,18,19)
InChIKeyOFJPEBBOWSNULC-UHFFFAOYSA-N
XLogP4.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-ethyl-6-methylphenyl)-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-methylphenyl)-1H-benzimidazol-2-amine
CID 923872
N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 22288832
N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2789700
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8761822
N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
CID 90942138
N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine
CID 143959541
N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 115143741
5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845418
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79147272
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-(1H-benzimidazol-2-yl)propane-1-sulfonamide
CID 63564270

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine (CID 923999) is N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine is CCc1cccc(C)c1Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine?
The InChIKey is OFJPEBBOWSNULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-3-12-8-6-7-11(2)15(12)19-16-17-13-9-4-5-10-14(13)18-16/h4-10H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine?
N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 923999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).