(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol

C20H24N2O — CID 738052

IUPAC(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c([C@H](O)c2ccc(C(C)C)cc2)nc2ccccc21
InChIInChI=1S/C20H24N2O/c1-4-13-22-18-8-6-5-7-17(18)21-20(22)19(23)16-11-9-15(10-12-16)14(2)3/h5-12,14,19,23H,4,13H2,1-3H3/t19-/m1/s1
InChIKeyHYKSZICEIDZNMX-LJQANCHMSA-N
MW308.43 g/mol
LogP4.65
Rot. Bonds5

About (R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol

(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol (PubChem CID 738052) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
PubChem CID738052
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c([C@H](O)c2ccc(C(C)C)cc2)nc2ccccc21
InChIInChI=1S/C20H24N2O/c1-4-13-22-18-8-6-5-7-17(18)21-20(22)19(23)16-11-9-15(10-12-16)14(2)3/h5-12,14,19,23H,4,13H2,1-3H3/t19-/m1/s1
InChIKeyHYKSZICEIDZNMX-LJQANCHMSA-N
XLogP4.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 762129
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 2891070
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 3786297
(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
CID 762121
(S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 929475
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450
(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 914008
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol
CID 16995165
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155

Frequently Asked Questions

What is the IUPAC name of (R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The IUPAC name of (R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol (CID 738052) is (R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The canonical SMILES for (R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol is CCCn1c([C@H](O)c2ccc(C(C)C)cc2)nc2ccccc21.
What is the InChIKey of (R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The InChIKey is HYKSZICEIDZNMX-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-13-22-18-8-6-5-7-17(18)21-20(22)19(23)16-11-9-15(10-12-16)14(2)3/h5-12,14,19,23H,4,13H2,1-3H3/t19-/m1/s1.
What are the key properties of (R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol?
(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol has a molecular weight of 308.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 738052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).