1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

C24H27N3O — CID 4525014

IUPAC1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)CCCC1
InChIInChI=1S/C24H27N3O/c1-16-11-12-23-20(13-16)19-7-3-5-9-22(19)27(23)15-18(28)14-26-17(2)25-21-8-4-6-10-24(21)26/h4,6,8,10-13,18,28H,3,5,7,9,14-15H2,1-2H3
InChIKeyIPRMBCGSQNTBJH-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.55
Rot. Bonds4

About 1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (PubChem CID 4525014) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
PubChem CID4525014
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)CCCC1
InChIInChI=1S/C24H27N3O/c1-16-11-12-23-20(13-16)19-7-3-5-9-22(19)27(23)15-18(28)14-26-17(2)25-21-8-4-6-10-24(21)26/h4,6,8,10-13,18,28H,3,5,7,9,14-15H2,1-2H3
InChIKeyIPRMBCGSQNTBJH-UHFFFAOYSA-N
XLogP4.55
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.55
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-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (CID 4525014) is 1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is Cc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)CCCC1.
What is the InChIKey of 1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The InChIKey is IPRMBCGSQNTBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-16-11-12-23-20(13-16)19-7-3-5-9-22(19)27(23)15-18(28)14-26-17(2)25-21-8-4-6-10-24(21)26/h4,6,8,10-13,18,28H,3,5,7,9,14-15H2,1-2H3.
What are the key properties of 1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol has a molecular weight of 373.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzimidazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 4525014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).