1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

C29H28ClN3O — CID 17028395

IUPAC1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESOC(Cn1c(Cc2ccccc2)nc2ccccc21)Cn1c2c(c3cccc(Cl)c31)CCCC2
InChIInChI=1S/C29H28ClN3O/c30-24-13-8-12-23-22-11-4-6-15-26(22)33(29(23)24)19-21(34)18-32-27-16-7-5-14-25(27)31-28(32)17-20-9-2-1-3-10-20/h1-3,5,7-10,12-14,16,21,34H,4,6,11,15,17-19H2
InChIKeyOOVNNLSKRPXZGQ-UHFFFAOYSA-N
MW470.02 g/mol
LogP6.18
Rot. Bonds6

About 1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (PubChem CID 17028395) has the molecular formula C29H28ClN3O and a molecular weight of 470.02 g/mol. Its IUPAC name is 1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
PubChem CID17028395
Molecular FormulaC29H28ClN3O
Molecular Weight470.02 g/mol
Exact Mass469.19
IUPAC Name1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESOC(Cn1c(Cc2ccccc2)nc2ccccc21)Cn1c2c(c3cccc(Cl)c31)CCCC2
InChIInChI=1S/C29H28ClN3O/c30-24-13-8-12-23-22-11-4-6-15-26(22)33(29(23)24)19-21(34)18-32-27-16-7-5-14-25(27)31-28(32)17-20-9-2-1-3-10-20/h1-3,5,7-10,12-14,16,21,34H,4,6,11,15,17-19H2
InChIKeyOOVNNLSKRPXZGQ-UHFFFAOYSA-N
XLogP6.18
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.02
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (CID 17028395) is 1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is OC(Cn1c(Cc2ccccc2)nc2ccccc21)Cn1c2c(c3cccc(Cl)c31)CCCC2.
What is the InChIKey of 1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The InChIKey is OOVNNLSKRPXZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN3O/c30-24-13-8-12-23-22-11-4-6-15-26(22)33(29(23)24)19-21(34)18-32-27-16-7-5-14-25(27)31-28(32)17-20-9-2-1-3-10-20/h1-3,5,7-10,12-14,16,21,34H,4,6,11,15,17-19H2.
What are the key properties of 1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
1-(2-benzylbenzimidazol-1-yl)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol has a molecular weight of 470.02 g/mol, XLogP of 6.18, 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-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 17028395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).