2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol

C17H19N3O — CID 163448451

IUPAC2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol
SMILESCc1ccc2nc(C(O)Cc3nccc(C)c3C)[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-10-4-5-13-15(8-10)20-17(19-13)16(21)9-14-12(3)11(2)6-7-18-14/h4-8,16,21H,9H2,1-3H3,(H,19,20)
InChIKeyBENGHJGUESZNKK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.16
Rot. Bonds3

About 2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol

2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol (PubChem CID 163448451) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol
PubChem CID163448451
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol
SMILESCc1ccc2nc(C(O)Cc3nccc(C)c3C)[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-10-4-5-13-15(8-10)20-17(19-13)16(21)9-14-12(3)11(2)6-7-18-14/h4-8,16,21H,9H2,1-3H3,(H,19,20)
InChIKeyBENGHJGUESZNKK-UHFFFAOYSA-N
XLogP3.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol 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

1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 102488846
1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol
CID 163442412
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol
CID 166632560
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
CID 23453418
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
CID 143794586
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of 2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol (CID 163448451) is 2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for 2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for 2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol is Cc1ccc2nc(C(O)Cc3nccc(C)c3C)[nH]c2c1.
What is the InChIKey of 2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol?
The InChIKey is BENGHJGUESZNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-4-5-13-15(8-10)20-17(19-13)16(21)9-14-12(3)11(2)6-7-18-14/h4-8,16,21H,9H2,1-3H3,(H,19,20).
What are the key properties of 2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol?
2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol has a molecular weight of 281.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 163448451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).