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

C15H14ClN3 — CID 43349882

IUPAC2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
SMILESCc1nc2ccccc2n1Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H14ClN3/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
InChIKeyVVURVHLEILQZDJ-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.63
Rot. Bonds2

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

2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline (PubChem CID 43349882) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
PubChem CID43349882
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
SMILESCc1nc2ccccc2n1Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H14ClN3/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
InChIKeyVVURVHLEILQZDJ-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.63
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-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
CID 115557285
3-[(3-amino-4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63769163
4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline
CID 94756819
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
5-(benzimidazol-1-ylmethyl)-2-chloroaniline
CID 43169019
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 18879503
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
CID 62533806
2-chloro-5-[(3-methylindol-1-yl)methyl]aniline
CID 43316655
2-methyl-1-[(3-nitrophenyl)methyl]benzimidazole
CID 78906418
1-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]-3-phenylthiourea
CID 5470588

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline?
The IUPAC name of 2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline (CID 43349882) is 2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline?
The canonical SMILES for 2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline is Cc1nc2ccccc2n1Cc1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline?
The InChIKey is VVURVHLEILQZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/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-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline?
2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline has a molecular weight of 271.75 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline is sourced from PubChem (CID 43349882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).