2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol

C16H15ClN2O2 — CID 10494614

IUPAC2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol
SMILESCn1c(-c2ccc(Cl)cc2)nc2cc(OCCO)ccc21
InChIInChI=1S/C16H15ClN2O2/c1-19-15-7-6-13(21-9-8-20)10-14(15)18-16(19)11-2-4-12(17)5-3-11/h2-7,10,20H,8-9H2,1H3
InChIKeyLGGDUFFPIYBGTB-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.26
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol

2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol (PubChem CID 10494614) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol
PubChem CID10494614
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol
SMILESCn1c(-c2ccc(Cl)cc2)nc2cc(OCCO)ccc21
InChIInChI=1S/C16H15ClN2O2/c1-19-15-7-6-13(21-9-8-20)10-14(15)18-16(19)11-2-4-12(17)5-3-11/h2-7,10,20H,8-9H2,1H3
InChIKeyLGGDUFFPIYBGTB-UHFFFAOYSA-N
XLogP3.26
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-(1-methoxyethyl)-1-methylbenzimidazole
CID 10447564
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
[1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol
CID 122424190
N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline
CID 146024291
2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol
CID 146024273
3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid
CID 167855437
5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole
CID 47272714
2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole
CID 146024274
6-(4-chlorophenyl)-2-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methylquinazolin-4-one
CID 143175130
N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71934907
1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole
CID 170765439
2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]ethanol
CID 10638406

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol?
The IUPAC name of 2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol (CID 10494614) is 2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol is Cn1c(-c2ccc(Cl)cc2)nc2cc(OCCO)ccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol?
The InChIKey is LGGDUFFPIYBGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-19-15-7-6-13(21-9-8-20)10-14(15)18-16(19)11-2-4-12(17)5-3-11/h2-7,10,20H,8-9H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol?
2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol has a molecular weight of 302.76 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]oxyethanol is sourced from PubChem (CID 10494614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).