1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine

C14H12ClN3O — CID 107623243

IUPAC1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine
SMILESCOc1cc(-n2cnc3cc(N)ccc32)ccc1Cl
InChIInChI=1S/C14H12ClN3O/c1-19-14-7-10(3-4-11(14)15)18-8-17-12-6-9(16)2-5-13(12)18/h2-8H,16H2,1H3
InChIKeyHQXAXYOPKSNMMB-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.27
Rot. Bonds2

About 1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine

1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine (PubChem CID 107623243) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine
PubChem CID107623243
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine
SMILESCOc1cc(-n2cnc3cc(N)ccc32)ccc1Cl
InChIInChI=1S/C14H12ClN3O/c1-19-14-7-10(3-4-11(14)15)18-8-17-12-6-9(16)2-5-13(12)18/h2-8H,16H2,1H3
InChIKeyHQXAXYOPKSNMMB-UHFFFAOYSA-N
XLogP3.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)benzimidazol-5-amine
CID 783122
1-(3,5-dimethylphenyl)benzimidazol-5-amine
CID 62508491
4-(benzimidazol-1-yl)-2-methoxyaniline
CID 63676519
1-naphthalen-2-ylbenzimidazol-5-amine
CID 62507384
1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine
CID 62507837
1-[3-(dimethylamino)phenyl]benzimidazol-5-amine
CID 115379111
(1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 69077985
1-(4-aminophenyl)benzimidazol-5-ol;ethane
CID 145364845
1-thiophen-3-ylbenzimidazol-5-amine
CID 66355194
6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazole
CID 171806398
4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline
CID 130424385
1-[1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 16659568

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine (CID 107623243) is 1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine is COc1cc(-n2cnc3cc(N)ccc32)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine?
The InChIKey is HQXAXYOPKSNMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-19-14-7-10(3-4-11(14)15)18-8-17-12-6-9(16)2-5-13(12)18/h2-8H,16H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine?
1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine has a molecular weight of 273.72 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine is sourced from PubChem (CID 107623243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).