N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

C18H15N5O — CID 9121431

IUPACN-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C\c1ccc(C#N)cc1
InChIInChI=1S/C18H15N5O/c1-13-21-16-4-2-3-5-17(16)23(13)12-18(24)22-20-11-15-8-6-14(10-19)7-9-15/h2-9,11H,12H2,1H3,(H,22,24)/b20-11-
InChIKeyWHJSGXFLHOXWLC-JAIQZWGSSA-N
MW317.35 g/mol
LogP2.37
Rot. Bonds4

About N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 9121431) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID9121431
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C\c1ccc(C#N)cc1
InChIInChI=1S/C18H15N5O/c1-13-21-16-4-2-3-5-17(16)23(13)12-18(24)22-20-11-15-8-6-14(10-19)7-9-15/h2-9,11H,12H2,1H3,(H,22,24)/b20-11-
InChIKeyWHJSGXFLHOXWLC-JAIQZWGSSA-N
XLogP2.37
TPSA83.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121419
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 136801937
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121440
2-(2-methylbenzimidazol-1-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 7387968
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
2-(2-methylbenzimidazol-1-yl)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 781487
N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 3673852
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4596288
N-(2-cyanophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40689130
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 9121317

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 9121431) is N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)N/N=C\c1ccc(C#N)cc1.
What is the InChIKey of N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is WHJSGXFLHOXWLC-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H15N5O/c1-13-21-16-4-2-3-5-17(16)23(13)12-18(24)22-20-11-15-8-6-14(10-19)7-9-15/h2-9,11H,12H2,1H3,(H,22,24)/b20-11-.
What are the key properties of N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 9121431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).