2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol

C20H19ClN4O2 — CID 53475690

IUPAC2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol
SMILESCOCCn1c(-c2cnc(-c3ccc(Cl)c(O)c3)[nH]2)nc2ccc(C)cc21
InChIInChI=1S/C20H19ClN4O2/c1-12-3-6-15-17(9-12)25(7-8-27-2)20(24-15)16-11-22-19(23-16)13-4-5-14(21)18(26)10-13/h3-6,9-11,26H,7-8H2,1-2H3,(H,22,23)
InChIKeyVPKREMRRUMJBHI-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.41
Rot. Bonds5

About 2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol

2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol (PubChem CID 53475690) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol
PubChem CID53475690
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol
SMILESCOCCn1c(-c2cnc(-c3ccc(Cl)c(O)c3)[nH]2)nc2ccc(C)cc21
InChIInChI=1S/C20H19ClN4O2/c1-12-3-6-15-17(9-12)25(7-8-27-2)20(24-15)16-11-22-19(23-16)13-4-5-14(21)18(26)10-13/h3-6,9-11,26H,7-8H2,1-2H3,(H,22,23)
InChIKeyVPKREMRRUMJBHI-UHFFFAOYSA-N
XLogP4.41
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-6-isocyano-1-(2-methoxyethyl)benzimidazole
CID 123399119
2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-3-(2-methoxyethyl)benzimidazole-5-carbonitrile;hydrochloride
CID 67450265
bis(carbon dioxide);5-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole;5-[5-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole
CID 159948319
2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]-N-methyl-1-propylbenzimidazole-5-carboxamide
CID 53477263
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
CID 136751423
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole
CID 46309156
5-[5-[4-benzylsulfonyl-1-(2-methoxyethyl)benzimidazol-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole
CID 53476456
2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136872120
2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
CID 43660301
4-(6-chloro-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136885662
1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
CID 122594630
2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 5136193

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol?
The IUPAC name of 2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol (CID 53475690) is 2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol?
The canonical SMILES for 2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol is COCCn1c(-c2cnc(-c3ccc(Cl)c(O)c3)[nH]2)nc2ccc(C)cc21.
What is the InChIKey of 2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol?
The InChIKey is VPKREMRRUMJBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-3-6-15-17(9-12)25(7-8-27-2)20(24-15)16-11-22-19(23-16)13-4-5-14(21)18(26)10-13/h3-6,9-11,26H,7-8H2,1-2H3,(H,22,23).
What are the key properties of 2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol?
2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol has a molecular weight of 382.85 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 53475690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).