1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine

C15H14ClN3O — CID 107637295

IUPAC1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2-c1cc(C)ccc1Cl
InChIInChI=1S/C15H14ClN3O/c1-9-6-7-10(16)12(8-9)19-11-4-3-5-13(20-2)14(11)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyIOVVVWUEOHQNRJ-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.58
Rot. Bonds2

About 1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine

1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine (PubChem CID 107637295) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine
PubChem CID107637295
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2-c1cc(C)ccc1Cl
InChIInChI=1S/C15H14ClN3O/c1-9-6-7-10(16)12(8-9)19-11-4-3-5-13(20-2)14(11)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyIOVVVWUEOHQNRJ-UHFFFAOYSA-N
XLogP3.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-2-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637238
1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine
CID 107637274
1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107575936
4-chloro-1-(2,5-dichlorophenyl)benzimidazol-2-amine
CID 104836825
1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine
CID 102854268
4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 104836895
4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
CID 104836856
1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598050
2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile
CID 107622292
1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine
CID 103480612
1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine
CID 103293052
5-chloro-1-(2-methoxyphenyl)benzimidazol-2-amine
CID 43659394

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine (CID 107637295) is 1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine is COc1cccc2c1nc(N)n2-c1cc(C)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine?
The InChIKey is IOVVVWUEOHQNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-9-6-7-10(16)12(8-9)19-11-4-3-5-13(20-2)14(11)18-15(19)17/h3-8H,1-2H3,(H2,17,18).
What are the key properties of 1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine?
1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine has a molecular weight of 287.75 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine is sourced from PubChem (CID 107637295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).