2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole

C20H15ClN2O — CID 68842824

IUPAC2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole
SMILESCc1ccc(Cl)cc1Oc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H15ClN2O/c1-13-6-9-15(21)12-19(13)24-16-10-7-14(8-11-16)20-22-17-4-2-3-5-18(17)23-20/h2-12H,1H3,(H,22,23)
InChIKeyRPWVPHYIMQWARU-UHFFFAOYSA-N
MW334.81 g/mol
LogP5.98
Rot. Bonds3

About 2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole

2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole (PubChem CID 68842824) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole
PubChem CID68842824
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole
SMILESCc1ccc(Cl)cc1Oc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H15ClN2O/c1-13-6-9-15(21)12-19(13)24-16-10-7-14(8-11-16)20-22-17-4-2-3-5-18(17)23-20/h2-12H,1H3,(H,22,23)
InChIKeyRPWVPHYIMQWARU-UHFFFAOYSA-N
XLogP5.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol
CID 122211363
2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole
CID 168553556
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole
CID 168553903
2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole
CID 68842813
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3413795
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 46502807
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole (CID 68842824) is 2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole is Cc1ccc(Cl)cc1Oc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole?
The InChIKey is RPWVPHYIMQWARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c1-13-6-9-15(21)12-19(13)24-16-10-7-14(8-11-16)20-22-17-4-2-3-5-18(17)23-20/h2-12H,1H3,(H,22,23).
What are the key properties of 2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole?
2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole has a molecular weight of 334.81 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 68842824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).