1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol

C21H28N2O2 — CID 22464959

IUPAC1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol
SMILESCCC(O)N1c2ccccc2N(C(O)CC)C1CCc1ccccc1
InChIInChI=1S/C21H28N2O2/c1-3-20(24)22-17-12-8-9-13-18(17)23(21(25)4-2)19(22)15-14-16-10-6-5-7-11-16/h5-13,19-21,24-25H,3-4,14-15H2,1-2H3
InChIKeyDBJLNWFIVAJVCU-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.73
Rot. Bonds7

About 1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol

1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol (PubChem CID 22464959) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol
PubChem CID22464959
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol
SMILESCCC(O)N1c2ccccc2N(C(O)CC)C1CCc1ccccc1
InChIInChI=1S/C21H28N2O2/c1-3-20(24)22-17-12-8-9-13-18(17)23(21(25)4-2)19(22)15-14-16-10-6-5-7-11-16/h5-13,19-21,24-25H,3-4,14-15H2,1-2H3
InChIKeyDBJLNWFIVAJVCU-UHFFFAOYSA-N
XLogP3.73
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol 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

GNF-Pf-4385
CID 759333
1-Ethyl-2,3-dimethyl-2-phenylbenzimidazole
CID 3124417
(3-benzyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid
CID 6472386
1,2,3-Trimethyl-2-phenyl-2,3-dihydro-1H-benzoimidazole
CID 799470
(R)-1-ethyl-3-(3-(methylamino)-1-phenylpropyl)-1H-benzo[d]imidazol-2(3H)-one
CID 16067641
(R)-1-isopropyl-3-(3-(methylamino)-1-phenylpropyl)-1H-benzo[d]imidazol-2(3H)-one
CID 16067645
(S)-1-(3-(methylamino)-1-phenylpropyl)-3-propyl-1H-benzo[d]imidazol-2(3H)-one
CID 16067646
(R)-1-(3-(methylamino)-1-phenylpropyl)-3-propyl-1H-benzo[d]imidazol-2(3H)-one
CID 16067647
(R)-1-methyl-3-(3-(methylamino)-1-phenylpropyl)-1H-benzo[d]imidazol-2(3H)-one
CID 16067731
1-(2,2-dimethylpropyl)-3-methyl-5-phenyl-1,3-dihydro-2H-benzimidazol-2-one
CID 56651050
1-Benzyl-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
CID 563547
2,3-Dihydro-1,3-dimethyl-2-phenyl-1H-benzimidazole
CID 199049

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol (CID 22464959) is 1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol is CCC(O)N1c2ccccc2N(C(O)CC)C1CCc1ccccc1.
What is the InChIKey of 1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol?
The InChIKey is DBJLNWFIVAJVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-20(24)22-17-12-8-9-13-18(17)23(21(25)4-2)19(22)15-14-16-10-6-5-7-11-16/h5-13,19-21,24-25H,3-4,14-15H2,1-2H3.
What are the key properties of 1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol?
1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol has a molecular weight of 340.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 22464959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).