6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C18H19N3 — CID 16783124

IUPAC6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1n1cnc2ccccc21
InChIInChI=1S/C18H19N3/c19-18-14-8-2-1-6-13(14)7-5-11-17(18)21-12-20-15-9-3-4-10-16(15)21/h1-4,6,8-10,12,17-18H,5,7,11,19H2
InChIKeyPQJNXJRFBMYEMX-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.61
Rot. Bonds1

About 6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 16783124) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID16783124
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1n1cnc2ccccc21
InChIInChI=1S/C18H19N3/c19-18-14-8-2-1-6-13(14)7-5-11-17(18)21-12-20-15-9-3-4-10-16(15)21/h1-4,6,8-10,12,17-18H,5,7,11,19H2
InChIKeyPQJNXJRFBMYEMX-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)benzimidazole
CID 54576638
6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine
CID 79828393
6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783923
4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride
CID 171992049
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 103532534
2-(benzimidazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40512092
2-(2-propan-2-ylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211495
6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63219890
2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62204652
3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314238
(1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 28793311

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 16783124) is 6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is NC1c2ccccc2CCCC1n1cnc2ccccc21.
What is the InChIKey of 6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is PQJNXJRFBMYEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c19-18-14-8-2-1-6-13(14)7-5-11-17(18)21-12-20-15-9-3-4-10-16(15)21/h1-4,6,8-10,12,17-18H,5,7,11,19H2.
What are the key properties of 6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 277.37 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 16783124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).