2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol

C20H25N3O — CID 5218920

IUPAC2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol
SMILES[H]/N=c1\n(CCCC)c2ccccc2n1CC(O)c1ccc(C)cc1
InChIInChI=1S/C20H25N3O/c1-3-4-13-22-17-7-5-6-8-18(17)23(20(22)21)14-19(24)16-11-9-15(2)10-12-16/h5-12,19,21,24H,3-4,13-14H2,1-2H3/b21-20+
InChIKeyOYWDGVPRLOHMTQ-QZQOTICOSA-N
MW323.44 g/mol
LogP3.76
Rot. Bonds6

About 2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol

2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol (PubChem CID 5218920) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol
PubChem CID5218920
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol
SMILES[H]/N=c1\n(CCCC)c2ccccc2n1CC(O)c1ccc(C)cc1
InChIInChI=1S/C20H25N3O/c1-3-4-13-22-17-7-5-6-8-18(17)23(20(22)21)14-19(24)16-11-9-15(2)10-12-16/h5-12,19,21,24H,3-4,13-14H2,1-2H3/b21-20+
InChIKeyOYWDGVPRLOHMTQ-QZQOTICOSA-N
XLogP3.76
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol (CID 5218920) is 2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol is [H]/N=c1\n(CCCC)c2ccccc2n1CC(O)c1ccc(C)cc1.
What is the InChIKey of 2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol?
The InChIKey is OYWDGVPRLOHMTQ-QZQOTICOSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-4-13-22-17-7-5-6-8-18(17)23(20(22)21)14-19(24)16-11-9-15(2)10-12-16/h5-12,19,21,24H,3-4,13-14H2,1-2H3/b21-20+.
What are the key properties of 2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol?
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol has a molecular weight of 323.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 5218920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).