1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide

C26H23N7O — CID 6087292

IUPAC1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)N/N=C\c3cn(-c4ccccc4)nc3-c3cccnc3)ccc21
InChIInChI=1S/C26H23N7O/c1-3-32-18(2)29-23-14-19(11-12-24(23)32)26(34)30-28-16-21-17-33(22-9-5-4-6-10-22)31-25(21)20-8-7-13-27-15-20/h4-17H,3H2,1-2H3,(H,30,34)/b28-16-
InChIKeyYMMDKWBIPIEMQC-NTFVMDSBSA-N
MW449.52 g/mol
LogP4.38
Rot. Bonds6

About 1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide

1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide (PubChem CID 6087292) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide
PubChem CID6087292
Molecular FormulaC26H23N7O
Molecular Weight449.52 g/mol
Exact Mass449.20
IUPAC Name1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)N/N=C\c3cn(-c4ccccc4)nc3-c3cccnc3)ccc21
InChIInChI=1S/C26H23N7O/c1-3-32-18(2)29-23-14-19(11-12-24(23)32)26(34)30-28-16-21-17-33(22-9-5-4-6-10-22)31-25(21)20-8-7-13-27-15-20/h4-17H,3H2,1-2H3,(H,30,34)/b28-16-
InChIKeyYMMDKWBIPIEMQC-NTFVMDSBSA-N
XLogP4.38
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-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

N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6899097
1-ethyl-N-[(2-hydroxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2641917
1-phenyl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 2319199
N-[(2-bromophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 5235917
4-[(Z)-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6085667
2,5-dichloro-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
CID 2127687
1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide
CID 3882567
1-ethyl-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzimidazole-5-carboxamide
CID 4680774
1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide
CID 4210674
1-ethyl-2-methyl-N-[(2-nitrophenyl)methylideneamino]benzimidazole-5-carboxamide
CID 2588560
1-ethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 136721256
2-naphthalen-2-yloxy-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide
CID 46662601

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide?
The IUPAC name of 1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide (CID 6087292) is 1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide is CCn1c(C)nc2cc(C(=O)N/N=C\c3cn(-c4ccccc4)nc3-c3cccnc3)ccc21.
What is the InChIKey of 1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide?
The InChIKey is YMMDKWBIPIEMQC-NTFVMDSBSA-N. The full InChI is InChI=1S/C26H23N7O/c1-3-32-18(2)29-23-14-19(11-12-24(23)32)26(34)30-28-16-21-17-33(22-9-5-4-6-10-22)31-25(21)20-8-7-13-27-15-20/h4-17H,3H2,1-2H3,(H,30,34)/b28-16-.
What are the key properties of 1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide?
1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzimidazole-5-carboxamide is sourced from PubChem (CID 6087292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).