2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine

C16H16ClN3O — CID 82068037

IUPAC2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine
SMILESCOCn1c(Cc2ccc(Cl)cc2)nc2c(N)cccc21
InChIInChI=1S/C16H16ClN3O/c1-21-10-20-14-4-2-3-13(18)16(14)19-15(20)9-11-5-7-12(17)8-6-11/h2-8H,9-10,18H2,1H3
InChIKeyLPYHNKIVCPAHRN-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.47
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine

2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine (PubChem CID 82068037) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine
PubChem CID82068037
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine
SMILESCOCn1c(Cc2ccc(Cl)cc2)nc2c(N)cccc21
InChIInChI=1S/C16H16ClN3O/c1-21-10-20-14-4-2-3-13(18)16(14)19-15(20)9-11-5-7-12(17)8-6-11/h2-8H,9-10,18H2,1H3
InChIKeyLPYHNKIVCPAHRN-UHFFFAOYSA-N
XLogP3.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.47
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

2-butyl-1-(methoxymethyl)benzimidazol-4-amine
CID 82067390
2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine
CID 82068290
2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol
CID 82068013
2-benzyl-1-propan-2-ylbenzimidazol-4-amine
CID 82068006
2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide
CID 82067997
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol
CID 82068272
1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine
CID 82068115
4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784772
2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine
CID 93215632
1-benzyl-2-propylbenzimidazol-4-amine
CID 82067310
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82068264
2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 18878462

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine (CID 82068037) is 2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine is COCn1c(Cc2ccc(Cl)cc2)nc2c(N)cccc21.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine?
The InChIKey is LPYHNKIVCPAHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-21-10-20-14-4-2-3-13(18)16(14)19-15(20)9-11-5-7-12(17)8-6-11/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine?
2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine has a molecular weight of 301.78 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine is sourced from PubChem (CID 82068037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).