2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole

C21H25ClN2O2 — CID 110534204

IUPAC2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole
SMILESCCOc1cc(-c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C21H25ClN2O2/c1-6-25-19-10-15(9-16(22)20(19)26-11-12(2)3)21-23-17-7-13(4)14(5)8-18(17)24-21/h7-10,12H,6,11H2,1-5H3,(H,23,24)
InChIKeyBNHIEWWQALGAQN-UHFFFAOYSA-N
MW372.90 g/mol
LogP5.93
Rot. Bonds6

About 2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole

2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole (PubChem CID 110534204) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole
PubChem CID110534204
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole
SMILESCCOc1cc(-c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C21H25ClN2O2/c1-6-25-19-10-15(9-16(22)20(19)26-11-12(2)3)21-23-17-7-13(4)14(5)8-18(17)24-21/h7-10,12H,6,11H2,1-5H3,(H,23,24)
InChIKeyBNHIEWWQALGAQN-UHFFFAOYSA-N
XLogP5.93
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-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

2-(3-ethoxy-4-methoxy-5-nitrophenyl)-5,6-dimethyl-1H-benzimidazole
CID 110536462
2-(3-chloro-4-ethoxy-5-methoxyphenyl)-3H-benzimidazol-5-amine
CID 83953290
5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole
CID 110538872
2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol
CID 136822282
2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532053
2-(3-chloro-4-ethoxy-5-methoxyphenyl)-6-nitro-1H-benzimidazole
CID 110535997
2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine
CID 83953091
2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 56736961
3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110535854
5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole
CID 110537311
3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534835
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
CID 103222477

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole (CID 110534204) is 2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole is CCOc1cc(-c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1OCC(C)C.
What is the InChIKey of 2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole?
The InChIKey is BNHIEWWQALGAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-6-25-19-10-15(9-16(22)20(19)26-11-12(2)3)21-23-17-7-13(4)14(5)8-18(17)24-21/h7-10,12H,6,11H2,1-5H3,(H,23,24).
What are the key properties of 2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole?
2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole has a molecular weight of 372.90 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 110534204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).