1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol

C29H25N3O — CID 2861179

IUPAC1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
SMILESOC(Cn1c(Cc2ccccc2)nc2ccccc21)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C29H25N3O/c33-22(19-31-26-15-7-4-12-23(26)24-13-5-8-16-27(24)31)20-32-28-17-9-6-14-25(28)30-29(32)18-21-10-2-1-3-11-21/h1-17,22,33H,18-20H2
InChIKeyBCGHHUZEGHFWTE-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.80
Rot. Bonds6

About 1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol

1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol (PubChem CID 2861179) has the molecular formula C29H25N3O and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
PubChem CID2861179
Molecular FormulaC29H25N3O
Molecular Weight431.54 g/mol
Exact Mass431.20
IUPAC Name1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
SMILESOC(Cn1c(Cc2ccccc2)nc2ccccc21)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C29H25N3O/c33-22(19-31-26-15-7-4-12-23(26)24-13-5-8-16-27(24)31)20-32-28-17-9-6-14-25(28)30-29(32)18-21-10-2-1-3-11-21/h1-17,22,33H,18-20H2
InChIKeyBCGHHUZEGHFWTE-UHFFFAOYSA-N
XLogP5.80
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol
CID 45144782
1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 23734487
1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 156620662
3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol
CID 45144760
1-(2-benzylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride
CID 172933757
(2R)-1-(2-benzylbenzimidazol-1-yl)-3-(3,5-dimethoxyphenoxy)propan-2-ol
CID 1090499
(2R)-1-carbazol-9-yl-3-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]propan-2-ol
CID 7000828
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 51465176
1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 156620660
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 92501262
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 1186414
1-(2-benzylbenzimidazol-1-yl)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 156620668

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol?
The IUPAC name of 1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol (CID 2861179) is 1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol.
What is the SMILES notation for 1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol?
The canonical SMILES for 1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol is OC(Cn1c(Cc2ccccc2)nc2ccccc21)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol?
The InChIKey is BCGHHUZEGHFWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O/c33-22(19-31-26-15-7-4-12-23(26)24-13-5-8-16-27(24)31)20-32-28-17-9-6-14-25(28)30-29(32)18-21-10-2-1-3-11-21/h1-17,22,33H,18-20H2.
What are the key properties of 1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol?
1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol has a molecular weight of 431.54 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol is sourced from PubChem (CID 2861179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).