1H-azepine;3H-benzo[e]benzimidazole

C17H15N3 — CID 158517761

IUPAC1H-azepine;3H-benzo[e]benzimidazole
SMILESC1=CC=CNC=C1.c1ccc2c(c1)ccc1[nH]cnc12
InChIInChI=1S/C11H8N2.C6H7N/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10;1-2-4-6-7-5-3-1/h1-7H,(H,12,13);1-7H
InChIKeyHLVKYKKGEJMBKJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.89
Rot. Bonds

About 1H-azepine;3H-benzo[e]benzimidazole

1H-azepine;3H-benzo[e]benzimidazole (PubChem CID 158517761) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1H-azepine;3H-benzo[e]benzimidazole.

Molecular Properties

Compound Name1H-azepine;3H-benzo[e]benzimidazole
PubChem CID158517761
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name1H-azepine;3H-benzo[e]benzimidazole
SMILESC1=CC=CNC=C1.c1ccc2c(c1)ccc1[nH]cnc12
InChIInChI=1S/C11H8N2.C6H7N/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10;1-2-4-6-7-5-3-1/h1-7H,(H,12,13);1-7H
InChIKeyHLVKYKKGEJMBKJ-UHFFFAOYSA-N
XLogP3.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-azepine;3H-benzo[e]benzimidazole?
The IUPAC name of 1H-azepine;3H-benzo[e]benzimidazole (CID 158517761) is 1H-azepine;3H-benzo[e]benzimidazole.
What is the SMILES notation for 1H-azepine;3H-benzo[e]benzimidazole?
The canonical SMILES for 1H-azepine;3H-benzo[e]benzimidazole is C1=CC=CNC=C1.c1ccc2c(c1)ccc1[nH]cnc12.
What is the InChIKey of 1H-azepine;3H-benzo[e]benzimidazole?
The InChIKey is HLVKYKKGEJMBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2.C6H7N/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10;1-2-4-6-7-5-3-1/h1-7H,(H,12,13);1-7H.
What are the key properties of 1H-azepine;3H-benzo[e]benzimidazole?
1H-azepine;3H-benzo[e]benzimidazole has a molecular weight of 261.33 g/mol, XLogP of 3.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;3H-benzo[e]benzimidazole is sourced from PubChem (CID 158517761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).