2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol

C19H22N2O2 — CID 94755704

IUPAC2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
SMILESCOc1ccc(Cc2nc3cc(C)c(C)cc3n2CCO)cc1
InChIInChI=1S/C19H22N2O2/c1-13-10-17-18(11-14(13)2)21(8-9-22)19(20-17)12-15-4-6-16(23-3)7-5-15/h4-7,10-11,22H,8-9,12H2,1-3H3
InChIKeyNMPBDCOXGUDNPG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.24
Rot. Bonds5

About 2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol

2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol (PubChem CID 94755704) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
PubChem CID94755704
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
SMILESCOc1ccc(Cc2nc3cc(C)c(C)cc3n2CCO)cc1
InChIInChI=1S/C19H22N2O2/c1-13-10-17-18(11-14(13)2)21(8-9-22)19(20-17)12-15-4-6-16(23-3)7-5-15/h4-7,10-11,22H,8-9,12H2,1-3H3
InChIKeyNMPBDCOXGUDNPG-UHFFFAOYSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82334385
2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82149347
6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol
CID 177375660
1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995937
3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 21188655
2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82311782
2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82311690
2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol
CID 82149314
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311786
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995940
3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol
CID 94756244
3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propanenitrile
CID 82144754

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol (CID 94755704) is 2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol is COc1ccc(Cc2nc3cc(C)c(C)cc3n2CCO)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol?
The InChIKey is NMPBDCOXGUDNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-10-17-18(11-14(13)2)21(8-9-22)19(20-17)12-15-4-6-16(23-3)7-5-15/h4-7,10-11,22H,8-9,12H2,1-3H3.
What are the key properties of 2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol?
2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol has a molecular weight of 310.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol is sourced from PubChem (CID 94755704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).