N-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide

C25H28N4O2 — CID 143094426

IUPACN-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide
SMILESCC/C=C\C=C/CCCn1c(NC(C)=O)nc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C25H28N4O2/c1-3-4-5-6-7-8-12-17-29-23-16-15-21(18-22(23)28-25(29)26-19(2)30)27-24(31)20-13-10-9-11-14-20/h4-7,9-11,13-16,18H,3,8,12,17H2,1-2H3,(H,27,31)(H,26,28,30)/b5-4-,7-6-
InChIKeyREHCMBABNBFMMG-RZSVFLSASA-N
MW416.53 g/mol
LogP5.55
Rot. Bonds9

About N-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide

N-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide (PubChem CID 143094426) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide
PubChem CID143094426
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide
SMILESCC/C=C\C=C/CCCn1c(NC(C)=O)nc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C25H28N4O2/c1-3-4-5-6-7-8-12-17-29-23-16-15-21(18-22(23)28-25(29)26-19(2)30)27-24(31)20-13-10-9-11-14-20/h4-7,9-11,13-16,18H,3,8,12,17H2,1-2H3,(H,27,31)(H,26,28,30)/b5-4-,7-6-
InChIKeyREHCMBABNBFMMG-RZSVFLSASA-N
XLogP5.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide
CID 46263421
prop-2-enyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(3-phenylpropyl)benzimidazol-2-yl]carbamate
CID 153349982
N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide
CID 100776792
N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 159678006
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene
CID 142812885
2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride
CID 139559905
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
N-[5-[benzoyl(methyl)amino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-ethenylbenzamide
CID 58742952

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide?
The IUPAC name of N-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide (CID 143094426) is N-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide?
The canonical SMILES for N-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide is CC/C=C\C=C/CCCn1c(NC(C)=O)nc2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide?
The InChIKey is REHCMBABNBFMMG-RZSVFLSASA-N. The full InChI is InChI=1S/C25H28N4O2/c1-3-4-5-6-7-8-12-17-29-23-16-15-21(18-22(23)28-25(29)26-19(2)30)27-24(31)20-13-10-9-11-14-20/h4-7,9-11,13-16,18H,3,8,12,17H2,1-2H3,(H,27,31)(H,26,28,30)/b5-4-,7-6-.
What are the key properties of N-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide?
N-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide has a molecular weight of 416.53 g/mol, XLogP of 5.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-1-[(4Z,6Z)-nona-4,6-dienyl]benzimidazol-5-yl]benzamide is sourced from PubChem (CID 143094426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).