2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine

C14H12ClN3O — CID 63693175

IUPAC2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine
SMILESCOc1cc(Cl)ccc1-c1nc2c(N)cccc2[nH]1
InChIInChI=1S/C14H12ClN3O/c1-19-12-7-8(15)5-6-9(12)14-17-11-4-2-3-10(16)13(11)18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyAMMHAOSSFOOECP-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.47
Rot. Bonds2

About 2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine

2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine (PubChem CID 63693175) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine
PubChem CID63693175
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine
SMILESCOc1cc(Cl)ccc1-c1nc2c(N)cccc2[nH]1
InChIInChI=1S/C14H12ClN3O/c1-19-12-7-8(15)5-6-9(12)14-17-11-4-2-3-10(16)13(11)18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyAMMHAOSSFOOECP-UHFFFAOYSA-N
XLogP3.47
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole
CID 64723337
2-(4-chloro-1H-benzimidazol-2-yl)-4,5-dimethoxyaniline
CID 60786590
2-(4-bromo-2-chlorophenyl)-1H-benzimidazol-4-amine
CID 63695445
2-(3,5-dichlorophenyl)-1H-benzimidazol-4-amine
CID 63694405
2-(3-chloro-5-methylphenyl)-1H-benzimidazol-4-amine
CID 81323414
2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine
CID 81267619
4-(1H-benzimidazol-2-yl)-2-chloro-5-methoxyaniline
CID 43614498
4-chloro-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 13175389
2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine
CID 107982657
2-(3-methylphenyl)-1H-benzimidazol-4-amine
CID 63691360
3-(4-chloro-2-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136873215
2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride
CID 18616882

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine (CID 63693175) is 2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine is COc1cc(Cl)ccc1-c1nc2c(N)cccc2[nH]1.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine?
The InChIKey is AMMHAOSSFOOECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-19-12-7-8(15)5-6-9(12)14-17-11-4-2-3-10(16)13(11)18-14/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine?
2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine has a molecular weight of 273.72 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 63693175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).