2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol

C20H20N4O — CID 95564066

IUPAC2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol
SMILESC[C@H](c1ccccc1)n1c(-c2nccn2CCO)nc2ccccc21
InChIInChI=1S/C20H20N4O/c1-15(16-7-3-2-4-8-16)24-18-10-6-5-9-17(18)22-20(24)19-21-11-12-23(19)13-14-25/h2-12,15,25H,13-14H2,1H3/t15-/m1/s1
InChIKeyKDRWNRLFCBVBJQ-OAHLLOKOSA-N
MW332.41 g/mol
LogP3.50
Rot. Bonds5

About 2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol

2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol (PubChem CID 95564066) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol
PubChem CID95564066
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol
SMILESC[C@H](c1ccccc1)n1c(-c2nccn2CCO)nc2ccccc21
InChIInChI=1S/C20H20N4O/c1-15(16-7-3-2-4-8-16)24-18-10-6-5-9-17(18)22-20(24)19-21-11-12-23(19)13-14-25/h2-12,15,25H,13-14H2,1H3/t15-/m1/s1
InChIKeyKDRWNRLFCBVBJQ-OAHLLOKOSA-N
XLogP3.50
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
CID 18878803
2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
CID 881414
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918
(1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol
CID 40692444
2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole
CID 56748742
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
(S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol
CID 99699872
5-[[2-(1-methylbenzimidazol-2-yl)imidazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 56866463
2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole
CID 16998925
2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole
CID 40692544

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol (CID 95564066) is 2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol is C[C@H](c1ccccc1)n1c(-c2nccn2CCO)nc2ccccc21.
What is the InChIKey of 2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol?
The InChIKey is KDRWNRLFCBVBJQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15(16-7-3-2-4-8-16)24-18-10-6-5-9-17(18)22-20(24)19-21-11-12-23(19)13-14-25/h2-12,15,25H,13-14H2,1H3/t15-/m1/s1.
What are the key properties of 2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol?
2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol has a molecular weight of 332.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol is sourced from PubChem (CID 95564066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).