(Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine

C17H17N3 — CID 9023604

IUPAC(Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N\n2cnc3ccccc32)cc1
InChIInChI=1S/C17H17N3/c1-13(2)15-9-7-14(8-10-15)11-19-20-12-18-16-5-3-4-6-17(16)20/h3-13H,1-2H3/b19-11-
InChIKeyRPWQMZCTLSDRES-ODLFYWEKSA-N
MW263.34 g/mol
LogP4.04
Rot. Bonds3

About (Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine

(Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine (PubChem CID 9023604) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine
PubChem CID9023604
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name(Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N\n2cnc3ccccc32)cc1
InChIInChI=1S/C17H17N3/c1-13(2)15-9-7-14(8-10-15)11-19-20-12-18-16-5-3-4-6-17(16)20/h3-13H,1-2H3/b19-11-
InChIKeyRPWQMZCTLSDRES-ODLFYWEKSA-N
XLogP4.04
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(benzimidazol-1-yl)-1-naphthalen-2-ylmethanimine
CID 9023831
N-[4-[(Z)-benzimidazol-1-yliminomethyl]phenyl]acetamide
CID 9023565
(Z)-N-(benzimidazol-1-yl)-1-pyridin-3-ylmethanimine
CID 5422737
(Z)-1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5403379
4-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 7672845
[4-[(Z)-benzimidazol-1-yliminomethyl]-2,6-dimethoxyphenyl] acetate
CID 9023843
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-propan-2-ylphenyl)methanimine
CID 726906
(Z)-N-(benzimidazol-1-yl)-1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanimine
CID 9024138
2-(benzotriazol-1-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 5397340
3-[(4-propan-2-ylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 23934348
[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 9023683
[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 9023689

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine?
The IUPAC name of (Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine (CID 9023604) is (Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine.
What is the SMILES notation for (Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine?
The canonical SMILES for (Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine is CC(C)c1ccc(/C=N\n2cnc3ccccc32)cc1.
What is the InChIKey of (Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine?
The InChIKey is RPWQMZCTLSDRES-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H17N3/c1-13(2)15-9-7-14(8-10-15)11-19-20-12-18-16-5-3-4-6-17(16)20/h3-13H,1-2H3/b19-11-.
What are the key properties of (Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine?
(Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine has a molecular weight of 263.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(benzimidazol-1-yl)-1-(4-propan-2-ylphenyl)methanimine is sourced from PubChem (CID 9023604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).