4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline

C15H14BrN3 — CID 82947294

IUPAC4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc(C)c2nc(-c3cc(Br)ccc3N)[nH]c2c1
InChIInChI=1S/C15H14BrN3/c1-8-5-9(2)14-13(6-8)18-15(19-14)11-7-10(16)3-4-12(11)17/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyKGOIVSDTRLHWRV-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.19
Rot. Bonds1

About 4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline

4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline (PubChem CID 82947294) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
PubChem CID82947294
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc(C)c2nc(-c3cc(Br)ccc3N)[nH]c2c1
InChIInChI=1S/C15H14BrN3/c1-8-5-9(2)14-13(6-8)18-15(19-14)11-7-10(16)3-4-12(11)17/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyKGOIVSDTRLHWRV-UHFFFAOYSA-N
XLogP4.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114373909
4-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82947385
3-bromo-5-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947637
2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole
CID 106854947
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
CID 82946515
2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82946953
2-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 104740767
3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82946597
2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79816424
6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82946936
4-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82946945
2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79822088

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline (CID 82947294) is 4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline is Cc1cc(C)c2nc(-c3cc(Br)ccc3N)[nH]c2c1.
What is the InChIKey of 4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The InChIKey is KGOIVSDTRLHWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-8-5-9(2)14-13(6-8)18-15(19-14)11-7-10(16)3-4-12(11)17/h3-7H,17H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline?
4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline has a molecular weight of 316.20 g/mol, XLogP of 4.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 82947294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).