(2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol

C32H29N3O2 — CID 51465176

IUPAC(2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2C[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C32H29N3O2/c1-37-27-17-15-24(16-18-27)31-20-25-11-5-7-13-29(25)34(31)21-26(36)22-35-30-14-8-6-12-28(30)33-32(35)19-23-9-3-2-4-10-23/h2-18,20,26,36H,19,21-22H2,1H3/t26-/m0/s1
InChIKeyVENREUPGBICHPA-SANMLTNESA-N
MW487.60 g/mol
LogP6.32
Rot. Bonds8

About (2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol

(2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol (PubChem CID 51465176) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is (2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
PubChem CID51465176
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC Name(2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2C[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C32H29N3O2/c1-37-27-17-15-24(16-18-27)31-20-25-11-5-7-13-29(25)34(31)21-26(36)22-35-30-14-8-6-12-28(30)33-32(35)19-23-9-3-2-4-10-23/h2-18,20,26,36H,19,21-22H2,1H3/t26-/m0/s1
InChIKeyVENREUPGBICHPA-SANMLTNESA-N
XLogP6.32
TPSA52.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2-benzylbenzimidazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol
CID 1090499
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 1180094
3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol
CID 45144782
(2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 7064426
(2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol
CID 1180091
1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2861179
1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 43841729
1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 156620662
2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 3344843
1-(2-benzylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride
CID 172933757
(2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6963876
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol (CID 51465176) is (2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol is COc1ccc(-c2cc3ccccc3n2C[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of (2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
The InChIKey is VENREUPGBICHPA-SANMLTNESA-N. The full InChI is InChI=1S/C32H29N3O2/c1-37-27-17-15-24(16-18-27)31-20-25-11-5-7-13-29(25)34(31)21-26(36)22-35-30-14-8-6-12-28(30)33-32(35)19-23-9-3-2-4-10-23/h2-18,20,26,36H,19,21-22H2,1H3/t26-/m0/s1.
What are the key properties of (2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol has a molecular weight of 487.60 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol is sourced from PubChem (CID 51465176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).