2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole

C15H15N3 — CID 102417905

IUPAC2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3cc4c([nH]3)CCCC4)nc2c1
InChIInChI=1S/C15H15N3/c1-2-6-11-10(5-1)9-14(16-11)15-17-12-7-3-4-8-13(12)18-15/h3-4,7-9,16H,1-2,5-6H2,(H,17,18)
InChIKeyAFMXNSJENXKGOL-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.44
Rot. Bonds1

About 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole

2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole (PubChem CID 102417905) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole
PubChem CID102417905
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3cc4c([nH]3)CCCC4)nc2c1
InChIInChI=1S/C15H15N3/c1-2-6-11-10(5-1)9-14(16-11)15-17-12-7-3-4-8-13(12)18-15/h3-4,7-9,16H,1-2,5-6H2,(H,17,18)
InChIKeyAFMXNSJENXKGOL-UHFFFAOYSA-N
XLogP3.44
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole (CID 102417905) is 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole is c1ccc2[nH]c(-c3cc4c([nH]3)CCCC4)nc2c1.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole?
The InChIKey is AFMXNSJENXKGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-2-6-11-10(5-1)9-14(16-11)15-17-12-7-3-4-8-13(12)18-15/h3-4,7-9,16H,1-2,5-6H2,(H,17,18).
What are the key properties of 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole?
2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole has a molecular weight of 237.31 g/mol, XLogP of 3.44, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 102417905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).