N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine

C16H17N3 — CID 143959541

IUPACN-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine
SMILESCc1cccc(C)c1Nc1nc2c(C)cccc2[nH]1
InChIInChI=1S/C16H17N3/c1-10-6-4-7-11(2)14(10)18-16-17-13-9-5-8-12(3)15(13)19-16/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyAXOHEZOPPIOQNI-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.23
Rot. Bonds2

About N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine

N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine (PubChem CID 143959541) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine
PubChem CID143959541
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine
SMILESCc1cccc(C)c1Nc1nc2c(C)cccc2[nH]1
InChIInChI=1S/C16H17N3/c1-10-6-4-7-11(2)14(10)18-16-17-13-9-5-8-12(3)15(13)19-16/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyAXOHEZOPPIOQNI-UHFFFAOYSA-N
XLogP4.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
CID 143959547
N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine
CID 54509015
methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate
CID 143959536
4-methyl-1H-benzimidazol-2-amine;trihydrate;trihydrochloride
CID 141030572
N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
CID 923999
N-(2,4,6-trimethylphenyl)-1H-imidazo[4,5-b]pyridin-2-amine
CID 91455813
(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 83857640
5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 167666744
N-(2,6-dimethylphenyl)-5-methyl-1H-imidazol-2-amine
CID 106559790
4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 64723101
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine (CID 143959541) is N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine is Cc1cccc(C)c1Nc1nc2c(C)cccc2[nH]1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine?
The InChIKey is AXOHEZOPPIOQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-10-6-4-7-11(2)14(10)18-16-17-13-9-5-8-12(3)15(13)19-16/h4-9H,1-3H3,(H2,17,18,19).
What are the key properties of N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine?
N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 143959541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).