2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide

C20H22N4O2 — CID 9121106

IUPAC2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1cnc2ccccc21)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H22N4O2/c1-14(2)26-17-10-8-16(9-11-17)15(3)22-23-20(25)12-24-13-21-18-6-4-5-7-19(18)24/h4-11,13-14H,12H2,1-3H3,(H,23,25)/b22-15-
InChIKeyIWPWKLPEVPMHCU-JCMHNJIXSA-N
MW350.42 g/mol
LogP3.36
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide

2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide (PubChem CID 9121106) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
PubChem CID9121106
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1cnc2ccccc21)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H22N4O2/c1-14(2)26-17-10-8-16(9-11-17)15(3)22-23-20(25)12-24-13-21-18-6-4-5-7-19(18)24/h4-11,13-14H,12H2,1-3H3,(H,23,25)/b22-15-
InChIKeyIWPWKLPEVPMHCU-JCMHNJIXSA-N
XLogP3.36
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.36
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

2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9121210
2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
CID 17086275
2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 8524080
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 8975359
2-(benzimidazol-1-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5395231
2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide
CID 9121111
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 9121197
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 9121198
2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135816002
[4-[(Z)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
CID 5435004
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate
CID 9075932

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide (CID 9121106) is 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)Cn1cnc2ccccc21)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide?
The InChIKey is IWPWKLPEVPMHCU-JCMHNJIXSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(2)26-17-10-8-16(9-11-17)15(3)22-23-20(25)12-24-13-21-18-6-4-5-7-19(18)24/h4-11,13-14H,12H2,1-3H3,(H,23,25)/b22-15-.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide?
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 9121106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).