(1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol

C23H23N3O2 — CID 1111782

IUPAC(1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol
SMILES[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1C[C@@H](O)c1ccc(OC)cc1
InChIInChI=1S/C23H23N3O2/c1-28-19-13-11-18(12-14-19)22(27)16-26-21-10-6-5-9-20(21)25(23(26)24)15-17-7-3-2-4-8-17/h2-14,22,24,27H,15-16H2,1H3/b24-23-/t22-/m1/s1
InChIKeyDQPOOMSMHTYJMJ-PDWGEAQMSA-N
MW373.46 g/mol
LogP3.71
Rot. Bonds6

About (1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol

(1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol (PubChem CID 1111782) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol
PubChem CID1111782
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol
SMILES[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1C[C@@H](O)c1ccc(OC)cc1
InChIInChI=1S/C23H23N3O2/c1-28-19-13-11-18(12-14-19)22(27)16-26-21-10-6-5-9-20(21)25(23(26)24)15-17-7-3-2-4-8-17/h2-14,22,24,27H,15-16H2,1H3/b24-23-/t22-/m1/s1
InChIKeyDQPOOMSMHTYJMJ-PDWGEAQMSA-N
XLogP3.71
TPSA63.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)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

2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride
CID 53314647
(1R)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(3,4-dichlorophenyl)ethanol
CID 1121192
1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol
CID 71079180
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
CID 3123763
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;2,2,2-trifluoroacetic acid
CID 51003775
(1R)-1-(4-chlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol
CID 791772
(2R)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-ol
CID 780714
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 658293
1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride
CID 2868453
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol chloride
CID 53314658
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol
CID 5218920
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-bromo-3-methylphenoxy)propan-2-ol
CID 51003780

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of (1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol (CID 1111782) is (1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for (1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for (1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol is [H]/N=c1/n(Cc2ccccc2)c2ccccc2n1C[C@@H](O)c1ccc(OC)cc1.
What is the InChIKey of (1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol?
The InChIKey is DQPOOMSMHTYJMJ-PDWGEAQMSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-28-19-13-11-18(12-14-19)22(27)16-26-21-10-6-5-9-20(21)25(23(26)24)15-17-7-3-2-4-8-17/h2-14,22,24,27H,15-16H2,1H3/b24-23-/t22-/m1/s1.
What are the key properties of (1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol?
(1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol has a molecular weight of 373.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 1111782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).