N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

C17H14Cl2N4O — CID 9121440

IUPACN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2N4O/c1-11-21-15-7-2-3-8-16(15)23(11)10-17(24)22-20-9-12-13(18)5-4-6-14(12)19/h2-9H,10H2,1H3,(H,22,24)/b20-9-
InChIKeyVGVRNGHYPPUEPD-UKWGHVSLSA-N
MW361.23 g/mol
LogP3.80
Rot. Bonds4

About N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 9121440) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID9121440
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2N4O/c1-11-21-15-7-2-3-8-16(15)23(11)10-17(24)22-20-9-12-13(18)5-4-6-14(12)19/h2-9H,10H2,1H3,(H,22,24)/b20-9-
InChIKeyVGVRNGHYPPUEPD-UKWGHVSLSA-N
XLogP3.80
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121419
2-(2-methylbenzimidazol-1-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 7387968
N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 75150430
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121431
N-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9147924
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 9121317
N-[(E)-(6,8-dichloro-2H-chromen-3-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 43075119
2-(2-methylbenzimidazol-1-yl)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 781487
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 136801937
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4596288

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 9121440) is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)N/N=C\c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is VGVRNGHYPPUEPD-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-11-21-15-7-2-3-8-16(15)23(11)10-17(24)22-20-9-12-13(18)5-4-6-14(12)19/h2-9H,10H2,1H3,(H,22,24)/b20-9-.
What are the key properties of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 361.23 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 9121440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).