2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole

C25H19N3O — CID 44600083

IUPAC2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole
SMILESc1cncc(-c2ccccc2-c2ccc(OCc3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C25H19N3O/c1-2-8-22(19-6-5-15-26-16-19)21(7-1)18-11-13-20(14-12-18)29-17-25-27-23-9-3-4-10-24(23)28-25/h1-16H,17H2,(H,27,28)
InChIKeyOJAYJBAWLUQAPY-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.87
Rot. Bonds5

About 2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole

2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole (PubChem CID 44600083) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole
PubChem CID44600083
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole
SMILESc1cncc(-c2ccccc2-c2ccc(OCc3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C25H19N3O/c1-2-8-22(19-6-5-15-26-16-19)21(7-1)18-11-13-20(14-12-18)29-17-25-27-23-9-3-4-10-24(23)28-25/h1-16H,17H2,(H,27,28)
InChIKeyOJAYJBAWLUQAPY-UHFFFAOYSA-N
XLogP5.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-ylmethoxy)benzamide
CID 142600756
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(2-phenylphenyl)sulfanylurea
CID 21154631
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(4-methoxyphenyl)thiourea
CID 3069269
2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one
CID 136926494
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(4-chlorophenyl)sulfanylurea
CID 21154618
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(4-methylphenyl)sulfanylurea
CID 21154625
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
(E)-3-[3-(1H-benzimidazol-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 58740567
8-(1H-benzimidazol-2-ylmethoxy)quinoline;hydrate
CID 139086197
N-(1H-benzimidazol-2-ylmethyl)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 66526473
2-[(4-ethoxyphenoxy)methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 24958354
6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-2-amine
CID 122387844

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole (CID 44600083) is 2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole is c1cncc(-c2ccccc2-c2ccc(OCc3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of 2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole?
The InChIKey is OJAYJBAWLUQAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c1-2-8-22(19-6-5-15-26-16-19)21(7-1)18-11-13-20(14-12-18)29-17-25-27-23-9-3-4-10-24(23)28-25/h1-16H,17H2,(H,27,28).
What are the key properties of 2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole?
2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole has a molecular weight of 377.45 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-pyridin-3-ylphenyl)phenoxy]methyl]-1H-benzimidazole is sourced from PubChem (CID 44600083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).