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

C15H14BrN3 — CID 115557285

IUPAC2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
SMILESCc1nc2ccccc2n1Cc1ccc(Br)c(N)c1
InChIInChI=1S/C15H14BrN3/c1-10-18-14-4-2-3-5-15(14)19(10)9-11-6-7-12(16)13(17)8-11/h2-8H,9,17H2,1H3
InChIKeyLPQCSGJHTYJJEE-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.74
Rot. Bonds2

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

2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline (PubChem CID 115557285) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
PubChem CID115557285
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
SMILESCc1nc2ccccc2n1Cc1ccc(Br)c(N)c1
InChIInChI=1S/C15H14BrN3/c1-10-18-14-4-2-3-5-15(14)19(10)9-11-6-7-12(16)13(17)8-11/h2-8H,9,17H2,1H3
InChIKeyLPQCSGJHTYJJEE-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
CID 43349882
2-[1-[(3-amino-4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 115557365
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile
CID 63884032
1-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]-3-phenylthiourea
CID 5470588
2-methyl-1-[(3-nitrophenyl)methyl]benzimidazole
CID 78906418
4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline
CID 94756819
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
[3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate
CID 134115953
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline?
The IUPAC name of 2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline (CID 115557285) is 2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline?
The canonical SMILES for 2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline is Cc1nc2ccccc2n1Cc1ccc(Br)c(N)c1.
What is the InChIKey of 2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline?
The InChIKey is LPQCSGJHTYJJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-10-18-14-4-2-3-5-15(14)19(10)9-11-6-7-12(16)13(17)8-11/h2-8H,9,17H2,1H3.
What are the key properties of 2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline?
2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline has a molecular weight of 316.20 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline is sourced from PubChem (CID 115557285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).