(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol

C18H20N2O — CID 762129

IUPAC(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c([C@H](O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H20N2O/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)14-10-8-13(2)9-11-14/h4-11,17,21H,3,12H2,1-2H3/t17-/m1/s1
InChIKeyJHGYDWJQXBVLNU-QGZVFWFLSA-N
MW280.37 g/mol
LogP3.84
Rot. Bonds4

About (R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol

(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol (PubChem CID 762129) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
PubChem CID762129
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c([C@H](O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H20N2O/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)14-10-8-13(2)9-11-14/h4-11,17,21H,3,12H2,1-2H3/t17-/m1/s1
InChIKeyJHGYDWJQXBVLNU-QGZVFWFLSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 738052
(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
CID 762121
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 3786297
(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
[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995174
ethyl 2-(1-propylbenzimidazol-2-yl)propanoate
CID 79475436
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol
CID 2959653
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
1-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 43470294

Frequently Asked Questions

What is the IUPAC name of (R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The IUPAC name of (R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol (CID 762129) is (R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The canonical SMILES for (R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol is CCCn1c([C@H](O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of (R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The InChIKey is JHGYDWJQXBVLNU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)14-10-8-13(2)9-11-14/h4-11,17,21H,3,12H2,1-2H3/t17-/m1/s1.
What are the key properties of (R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol?
(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol has a molecular weight of 280.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 762129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).