N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C20H14Cl2N4O3S — CID 86604761

IUPACN-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCC(=NNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1csc(-c2ccc(Cl)c(Cl)c2)c1O
InChIInChI=1S/C20H14Cl2N4O3S/c1-9(12-8-30-18(17(12)27)10-2-4-13(21)14(22)6-10)25-26-19(28)11-3-5-15-16(7-11)24-20(29)23-15/h2-8,27H,1H3,(H,26,28)(H2,23,24,29)
InChIKeyGHBVIAYFARXAQH-UHFFFAOYSA-N
MW461.33 g/mol
LogP4.75
Rot. Bonds4

About N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 86604761) has the molecular formula C20H14Cl2N4O3S and a molecular weight of 461.33 g/mol. Its IUPAC name is N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID86604761
Molecular FormulaC20H14Cl2N4O3S
Molecular Weight461.33 g/mol
Exact Mass460.02
IUPAC NameN-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCC(=NNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1csc(-c2ccc(Cl)c(Cl)c2)c1O
InChIInChI=1S/C20H14Cl2N4O3S/c1-9(12-8-30-18(17(12)27)10-2-4-13(21)14(22)6-10)25-26-19(28)11-3-5-15-16(7-11)24-20(29)23-15/h2-8,27H,1H3,(H,26,28)(H2,23,24,29)
InChIKeyGHBVIAYFARXAQH-UHFFFAOYSA-N
XLogP4.75
TPSA110.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.33
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-[(E)-1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-N-ethyl-2-N-methylthiophene-2,5-dicarboxamide
CID 59539351
CID 159039825
CID 159039825
2-(3,4-dichlorophenyl)-4-(C,N-dimethylcarbonimidoyl)thiophen-3-ol
CID 89325135
3-[[5-[[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]carbamoyl]thiophene-2-carbonyl]-methylamino]propanoic acid
CID 76597778
2-N-[(E)-1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-5-N-(1,2-dihydropyridin-4-ylmethyl)thiophene-2,5-dicarboxamide
CID 89385246
2-N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-5-N-(3-pyridin-4-ylpropyl)thiophene-2,5-dicarboxamide
CID 73225133
2-N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-5-N-[(1,5-dimethylpyrazol-3-yl)methyl]thiophene-2,5-dicarboxamide
CID 73225214
1-[(Z)-1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-3-(3-oxo-4H-1,4-benzoxazin-6-yl)thiourea
CID 16657097
3-amino-4-[[(E)-1-[5-(4-chlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]carbamoyl]benzoic acid
CID 59693126
N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)thiophene-2-carboxamide
CID 76597814
N-[(Z)-1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-4-hydroxypiperidine-1-carbothioamide
CID 87656494
4-[[(E)-1-[5-(4-tert-butylphenyl)-4-hydroxythiophen-3-yl]ethylideneamino]carbamoyl]-2-fluorobenzoic acid
CID 59693208

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 86604761) is N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is CC(=NNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1csc(-c2ccc(Cl)c(Cl)c2)c1O.
What is the InChIKey of N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is GHBVIAYFARXAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O3S/c1-9(12-8-30-18(17(12)27)10-2-4-13(21)14(22)6-10)25-26-19(28)11-3-5-15-16(7-11)24-20(29)23-15/h2-8,27H,1H3,(H,26,28)(H2,23,24,29).
What are the key properties of N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 461.33 g/mol, XLogP of 4.75, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 86604761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).