1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine

C21H19N3O — CID 751751

IUPAC1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
SMILESc1ccc(Nc2nc3ccccc3n2CCOc2ccccc2)cc1
InChIInChI=1S/C21H19N3O/c1-3-9-17(10-4-1)22-21-23-19-13-7-8-14-20(19)24(21)15-16-25-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,22,23)
InChIKeyUFQZHLCAFAVMCQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.86
Rot. Bonds6

About 1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine

1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine (PubChem CID 751751) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
PubChem CID751751
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
SMILESc1ccc(Nc2nc3ccccc3n2CCOc2ccccc2)cc1
InChIInChI=1S/C21H19N3O/c1-3-9-17(10-4-1)22-21-23-19-13-7-8-14-20(19)24(21)15-16-25-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,22,23)
InChIKeyUFQZHLCAFAVMCQ-UHFFFAOYSA-N
XLogP4.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine
CID 1298158
2-(2-anilinobenzimidazol-1-yl)ethanethiol
CID 135270626
3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol
CID 43828964
1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine
CID 82359465
N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine
CID 68541525
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 15718956
N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine
CID 4697797
2-(2-anilinobenzimidazol-1-yl)acetic acid
CID 15944452
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972240

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine?
The IUPAC name of 1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine (CID 751751) is 1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine?
The canonical SMILES for 1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine is c1ccc(Nc2nc3ccccc3n2CCOc2ccccc2)cc1.
What is the InChIKey of 1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine?
The InChIKey is UFQZHLCAFAVMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-3-9-17(10-4-1)22-21-23-19-13-7-8-14-20(19)24(21)15-16-25-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,22,23).
What are the key properties of 1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine?
1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine has a molecular weight of 329.40 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine is sourced from PubChem (CID 751751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).