1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol

C23H28N2O2 — CID 156620536

IUPAC1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCc1cc(OCC(O)Cn2c(C3CC3)nc3ccccc32)ccc1C(C)C
InChIInChI=1S/C23H28N2O2/c1-15(2)20-11-10-19(12-16(20)3)27-14-18(26)13-25-22-7-5-4-6-21(22)24-23(25)17-8-9-17/h4-7,10-12,15,17-18,26H,8-9,13-14H2,1-3H3
InChIKeyNKRMOOBELQMJDJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.79
Rot. Bonds7

About 1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol

1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol (PubChem CID 156620536) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
PubChem CID156620536
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCc1cc(OCC(O)Cn2c(C3CC3)nc3ccccc32)ccc1C(C)C
InChIInChI=1S/C23H28N2O2/c1-15(2)20-11-10-19(12-16(20)3)27-14-18(26)13-25-22-7-5-4-6-21(22)24-23(25)17-8-9-17/h4-7,10-12,15,17-18,26H,8-9,13-14H2,1-3H3
InChIKeyNKRMOOBELQMJDJ-UHFFFAOYSA-N
XLogP4.79
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-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

(2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 27407765
(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 96571491
1-(2-cyclohexylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 71296329
1-naphthalen-2-yloxy-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol
CID 138960604
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961177
1-(2-cyclobutylbenzimidazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138961191
1-(2-cyclohexylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 138960136
1-[4-[3-(2-cyclopentylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one;hydrochloride
CID 138960285
1-tert-butyl-4-[1-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 43841692
(4R)-4-[1-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 27407620
1-[4-[3-(2-cyclohexylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one;hydrochloride
CID 138960186
1-(2-cyclobutylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138961183

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol (CID 156620536) is 1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol is Cc1cc(OCC(O)Cn2c(C3CC3)nc3ccccc32)ccc1C(C)C.
What is the InChIKey of 1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is NKRMOOBELQMJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15(2)20-11-10-19(12-16(20)3)27-14-18(26)13-25-22-7-5-4-6-21(22)24-23(25)17-8-9-17/h4-7,10-12,15,17-18,26H,8-9,13-14H2,1-3H3.
What are the key properties of 1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 364.49 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylbenzimidazol-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 156620536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).