N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine

C15H13ClN4 — CID 6085973

IUPACN-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
SMILESC/C(=N/Nc1nc2ccccc2[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN4/c1-10(11-5-4-6-12(16)9-11)19-20-15-17-13-7-2-3-8-14(13)18-15/h2-9H,1H3,(H2,17,18,20)/b19-10-
InChIKeyFZZKXGTXLHTBQH-GRSHGNNSSA-N
MW284.75 g/mol
LogP4.05
Rot. Bonds3

About N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine

N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine (PubChem CID 6085973) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
PubChem CID6085973
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC NameN-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
SMILESC/C(=N/Nc1nc2ccccc2[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN4/c1-10(11-5-4-6-12(16)9-11)19-20-15-17-13-7-2-3-8-14(13)18-15/h2-9H,1H3,(H2,17,18,20)/b19-10-
InChIKeyFZZKXGTXLHTBQH-GRSHGNNSSA-N
XLogP4.05
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.05
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

2-[(2Z)-2-[1-(3-chlorophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824185
N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 3966393
N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine
CID 135558240
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624
N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine
CID 5470579
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 7912538
N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 60724213
N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
CID 131854072
N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine
CID 4051864
N-(1H-benzimidazol-2-yl)-5-chloro-2-fluorobenzamide
CID 51229012
N-[3-[(E)-N-(1H-benzimidazol-2-ylamino)-C-methylcarbonimidoyl]-4-hydroxyphenyl]butanamide
CID 135730875
N-(1H-benzimidazol-2-yl)-6-chloro-2-methylquinazolin-4-amine
CID 25167649

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine (CID 6085973) is N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine is C/C(=N/Nc1nc2ccccc2[nH]1)c1cccc(Cl)c1.
What is the InChIKey of N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is FZZKXGTXLHTBQH-GRSHGNNSSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-10(11-5-4-6-12(16)9-11)19-20-15-17-13-7-2-3-8-14(13)18-15/h2-9H,1H3,(H2,17,18,20)/b19-10-.
What are the key properties of N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine?
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 284.75 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 6085973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).