N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine

C17H16N4 — CID 4171111

IUPACN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine
SMILESc1ccc2c(c1)CCCC2=NNc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16N4/c1-2-8-13-12(6-1)7-5-11-14(13)20-21-17-18-15-9-3-4-10-16(15)19-17/h1-4,6,8-10H,5,7,11H2,(H2,18,19,21)
InChIKeyGATNWZZDQIZSHS-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.72
Rot. Bonds2

About N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine (PubChem CID 4171111) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine
PubChem CID4171111
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine
SMILESc1ccc2c(c1)CCCC2=NNc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16N4/c1-2-8-13-12(6-1)7-5-11-14(13)20-21-17-18-15-9-3-4-10-16(15)19-17/h1-4,6,8-10H,5,7,11H2,(H2,18,19,21)
InChIKeyGATNWZZDQIZSHS-UHFFFAOYSA-N
XLogP3.72
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine
CID 56968877
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-1H-imidazol-2-amine
CID 88805864
N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine
CID 4196767
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 71882484
3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135537205
N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine
CID 6087223
N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine
CID 88805800
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine
CID 25157552
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide
CID 840700
2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 6536301
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline
CID 5379027

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine (CID 4171111) is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine is c1ccc2c(c1)CCCC2=NNc1nc2ccccc2[nH]1.
What is the InChIKey of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine?
The InChIKey is GATNWZZDQIZSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-8-13-12(6-1)7-5-11-14(13)20-21-17-18-15-9-3-4-10-16(15)19-17/h1-4,6,8-10H,5,7,11H2,(H2,18,19,21).
What are the key properties of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine?
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine is sourced from PubChem (CID 4171111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).