1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole

C26H27ClN2O2 — CID 170091116

IUPAC1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole
SMILESCOCCc1ccc(C(C)c2nc3cc(OC)ccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C26H27ClN2O2/c1-18(20-10-8-19(9-11-20)14-15-30-2)26-28-24-16-22(31-3)12-13-25(24)29(26)17-21-6-4-5-7-23(21)27/h4-13,16,18H,14-15,17H2,1-3H3
InChIKeyRIUNSJBZQPMKEM-UHFFFAOYSA-N
MW434.97 g/mol
LogP6.09
Rot. Bonds8

About 1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole

1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole (PubChem CID 170091116) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole
PubChem CID170091116
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole
SMILESCOCCc1ccc(C(C)c2nc3cc(OC)ccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C26H27ClN2O2/c1-18(20-10-8-19(9-11-20)14-15-30-2)26-28-24-16-22(31-3)12-13-25(24)29(26)17-21-6-4-5-7-23(21)27/h4-13,16,18H,14-15,17H2,1-3H3
InChIKeyRIUNSJBZQPMKEM-UHFFFAOYSA-N
XLogP6.09
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]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

5-[(2-chlorophenyl)methoxy]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole
CID 134149887
1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole-5-carboxylic acid;ethane
CID 153381632
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811190
1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82334348
1-(2-methoxyethyl)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 51430294
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010116
1-[(2-methoxyphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3269315
5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole
CID 134083914
1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene
CID 63429786
1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82024681
1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811218
[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol
CID 2850295

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole (CID 170091116) is 1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole is COCCc1ccc(C(C)c2nc3cc(OC)ccc3n2Cc2ccccc2Cl)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole?
The InChIKey is RIUNSJBZQPMKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c1-18(20-10-8-19(9-11-20)14-15-30-2)26-28-24-16-22(31-3)12-13-25(24)29(26)17-21-6-4-5-7-23(21)27/h4-13,16,18H,14-15,17H2,1-3H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole?
1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole has a molecular weight of 434.97 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-methoxy-2-[1-[4-(2-methoxyethyl)phenyl]ethyl]benzimidazole is sourced from PubChem (CID 170091116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).