9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile

C23H22N4 — CID 62707410

IUPAC9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2CCCc2nc3ccccc3[nH]2)CCCC1
InChIInChI=1S/C23H22N4/c24-15-16-11-12-22-18(14-16)17-6-1-4-9-21(17)27(22)13-5-10-23-25-19-7-2-3-8-20(19)26-23/h2-3,7-8,11-12,14H,1,4-6,9-10,13H2,(H,25,26)
InChIKeyINZZLTCMGWYMQT-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.90
Rot. Bonds4

About 9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile

9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile (PubChem CID 62707410) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile
PubChem CID62707410
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2CCCc2nc3ccccc3[nH]2)CCCC1
InChIInChI=1S/C23H22N4/c24-15-16-11-12-22-18(14-16)17-6-1-4-9-21(17)27(22)13-5-10-23-25-19-7-2-3-8-20(19)26-23/h2-3,7-8,11-12,14H,1,4-6,9-10,13H2,(H,25,26)
InChIKeyINZZLTCMGWYMQT-UHFFFAOYSA-N
XLogP4.90
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile?
The IUPAC name of 9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile (CID 62707410) is 9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile?
The canonical SMILES for 9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1c(n2CCCc2nc3ccccc3[nH]2)CCCC1.
What is the InChIKey of 9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile?
The InChIKey is INZZLTCMGWYMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c24-15-16-11-12-22-18(14-16)17-6-1-4-9-21(17)27(22)13-5-10-23-25-19-7-2-3-8-20(19)26-23/h2-3,7-8,11-12,14H,1,4-6,9-10,13H2,(H,25,26).
What are the key properties of 9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile?
9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile has a molecular weight of 354.46 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carbonitrile is sourced from PubChem (CID 62707410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).