2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

C16H15BrClN3 — CID 104722911

IUPAC2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCc1cc(Br)c(NCc2nc3ccccc3n2C)cc1Cl
InChIInChI=1S/C16H15BrClN3/c1-10-7-11(17)14(8-12(10)18)19-9-16-20-13-5-3-4-6-15(13)21(16)2/h3-8,19H,9H2,1-2H3
InChIKeyRSJXCBYFHSGTAV-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.91
Rot. Bonds3

About 2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (PubChem CID 104722911) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
PubChem CID104722911
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCc1cc(Br)c(NCc2nc3ccccc3n2C)cc1Cl
InChIInChI=1S/C16H15BrClN3/c1-10-7-11(17)14(8-12(10)18)19-9-16-20-13-5-3-4-6-15(13)21(16)2/h3-8,19H,9H2,1-2H3
InChIKeyRSJXCBYFHSGTAV-UHFFFAOYSA-N
XLogP4.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107633206
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
CID 107679286
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
CID 104722481
4-chloro-2-[(1-methylbenzimidazol-2-yl)methylamino]benzonitrile
CID 63756412
2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107598333
2-chloro-5-[(1-methylbenzimidazol-2-yl)methylamino]benzonitrile
CID 63756584
1-(5-bromo-2-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007538
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
2-bromo-5-chloro-N-[(2,3-dimethylphenyl)methyl]-4-methylaniline
CID 104723045
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (CID 104722911) is 2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is Cc1cc(Br)c(NCc2nc3ccccc3n2C)cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is RSJXCBYFHSGTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-10-7-11(17)14(8-12(10)18)19-9-16-20-13-5-3-4-6-15(13)21(16)2/h3-8,19H,9H2,1-2H3.
What are the key properties of 2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 364.67 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 104722911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).