(1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol

C19H22N2O2 — CID 927352

IUPAC(1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol
SMILESCC[C@H](c1nc2ccccc2n1C)[C@@H](O)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O2/c1-4-15(18(22)13-9-11-14(23-3)12-10-13)19-20-16-7-5-6-8-17(16)21(19)2/h5-12,15,18,22H,4H2,1-3H3/t15-,18-/m0/s1
InChIKeyLFPMEGRUEKPWFX-YJBOKZPZSA-N
MW310.40 g/mol
LogP3.81
Rot. Bonds5

About (1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol

(1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol (PubChem CID 927352) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol
PubChem CID927352
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol
SMILESCC[C@H](c1nc2ccccc2n1C)[C@@H](O)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O2/c1-4-15(18(22)13-9-11-14(23-3)12-10-13)19-20-16-7-5-6-8-17(16)21(19)2/h5-12,15,18,22H,4H2,1-3H3/t15-,18-/m0/s1
InChIKeyLFPMEGRUEKPWFX-YJBOKZPZSA-N
XLogP3.81
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797343
(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797340
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 914008
3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one
CID 162415481
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
1-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 17027803
(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 2891070
ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate
CID 83441215
[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol
CID 2850295
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol?
The IUPAC name of (1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol (CID 927352) is (1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol.
What is the SMILES notation for (1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol?
The canonical SMILES for (1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol is CC[C@H](c1nc2ccccc2n1C)[C@@H](O)c1ccc(OC)cc1.
What is the InChIKey of (1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol?
The InChIKey is LFPMEGRUEKPWFX-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-15(18(22)13-9-11-14(23-3)12-10-13)19-20-16-7-5-6-8-17(16)21(19)2/h5-12,15,18,22H,4H2,1-3H3/t15-,18-/m0/s1.
What are the key properties of (1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol?
(1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol is sourced from PubChem (CID 927352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).