2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol

C16H15ClN2O2 — CID 136822282

IUPAC2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol
SMILESCCOc1cc(-c2nc3ccc(C)cc3[nH]2)cc(Cl)c1O
InChIInChI=1S/C16H15ClN2O2/c1-3-21-14-8-10(7-11(17)15(14)20)16-18-12-5-4-9(2)6-13(12)19-16/h4-8,20H,3H2,1-2H3,(H,18,19)
InChIKeyFVYRMZKUCIQYPB-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.30
Rot. Bonds3

About 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol

2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol (PubChem CID 136822282) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol
PubChem CID136822282
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol
SMILESCCOc1cc(-c2nc3ccc(C)cc3[nH]2)cc(Cl)c1O
InChIInChI=1S/C16H15ClN2O2/c1-3-21-14-8-10(7-11(17)15(14)20)16-18-12-5-4-9(2)6-13(12)19-16/h4-8,20H,3H2,1-2H3,(H,18,19)
InChIKeyFVYRMZKUCIQYPB-UHFFFAOYSA-N
XLogP4.30
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-diethoxy-5-nitrophenyl)-6-methyl-1H-benzimidazole
CID 110536461
3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17297281
4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-ethoxy-6-nitrophenol
CID 136781897
2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine
CID 83953091
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
2-(3-chloro-4-ethoxy-5-methoxyphenyl)-3H-benzimidazol-5-amine
CID 83953290
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-[3-bromo-4-[(3-bromophenyl)methoxy]-5-ethoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224715
2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224643
2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534204
2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224676
2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole
CID 103597133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol (CID 136822282) is 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol is CCOc1cc(-c2nc3ccc(C)cc3[nH]2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol?
The InChIKey is FVYRMZKUCIQYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-3-21-14-8-10(7-11(17)15(14)20)16-18-12-5-4-9(2)6-13(12)19-16/h4-8,20H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol?
2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol has a molecular weight of 302.76 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 136822282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).