N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine

C22H20ClN3O — CID 68541525

IUPACN-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine
SMILESClc1ccccc1CNc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C22H20ClN3O/c23-19-11-5-4-8-17(19)16-24-22-25-20-12-6-7-13-21(20)26(22)14-15-27-18-9-2-1-3-10-18/h1-13H,14-16H2,(H,24,25)
InChIKeyNAFKJCKTNOBGPH-UHFFFAOYSA-N
MW377.88 g/mol
LogP5.38
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine

N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine (PubChem CID 68541525) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine
PubChem CID68541525
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine
SMILESClc1ccccc1CNc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C22H20ClN3O/c23-19-11-5-4-8-17(19)16-24-22-25-20-12-6-7-13-21(20)26(22)14-15-27-18-9-2-1-3-10-18/h1-13H,14-16H2,(H,24,25)
InChIKeyNAFKJCKTNOBGPH-UHFFFAOYSA-N
XLogP5.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.88
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
CID 751751
3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol
CID 43828964
N-[(2-chlorophenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine
CID 7342826
2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 16995725
2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16995754
1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine
CID 1298158
2-[(2-chlorophenyl)methyl]-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 16995718
1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine
CID 82359465
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 5136193
1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 15718956

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine (CID 68541525) is N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine is Clc1ccccc1CNc1nc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine?
The InChIKey is NAFKJCKTNOBGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O/c23-19-11-5-4-8-17(19)16-24-22-25-20-12-6-7-13-21(20)26(22)14-15-27-18-9-2-1-3-10-18/h1-13H,14-16H2,(H,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine?
N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine has a molecular weight of 377.88 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine is sourced from PubChem (CID 68541525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).