N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine

C14H14N4 — CID 6087223

IUPACN-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine
SMILESC1=CC2/C(=N\Nc3nc4ccccc4[nH]3)CC2C1
InChIInChI=1S/C14H14N4/c1-2-7-12-11(6-1)15-14(16-12)18-17-13-8-9-4-3-5-10(9)13/h1-3,5-7,9-10H,4,8H2,(H2,15,16,18)/b17-13-
InChIKeySSDXASMVKDBABN-LGMDPLHJSA-N
MW238.29 g/mol
LogP2.93
Rot. Bonds2

About N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine

N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine (PubChem CID 6087223) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine
PubChem CID6087223
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine
SMILESC1=CC2/C(=N\Nc3nc4ccccc4[nH]3)CC2C1
InChIInChI=1S/C14H14N4/c1-2-7-12-11(6-1)15-14(16-12)18-17-13-8-9-4-3-5-10(9)13/h1-3,5-7,9-10H,4,8H2,(H2,15,16,18)/b17-13-
InChIKeySSDXASMVKDBABN-LGMDPLHJSA-N
XLogP2.93
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine
CID 4196767
N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1H-benzimidazol-2-amine
CID 56968877
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-benzimidazol-2-amine
CID 4171111
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 3966393
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine
CID 25157552
N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
CID 131854072
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine (CID 6087223) is N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine is C1=CC2/C(=N\Nc3nc4ccccc4[nH]3)CC2C1.
What is the InChIKey of N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is SSDXASMVKDBABN-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-7-12-11(6-1)15-14(16-12)18-17-13-8-9-4-3-5-10(9)13/h1-3,5-7,9-10H,4,8H2,(H2,15,16,18)/b17-13-.
What are the key properties of N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine?
N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 238.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 6087223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).