2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide

C15H14F2N4O3 — CID 171788321

IUPAC2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C1CCC(NC(=O)c2cccc3[nH]c(C(F)CF)nc23)C(=O)N1
InChIInChI=1S/C15H14F2N4O3/c16-6-8(17)13-18-9-3-1-2-7(12(9)21-13)14(23)19-10-4-5-11(22)20-15(10)24/h1-3,8,10H,4-6H2,(H,18,21)(H,19,23)(H,20,22,24)
InChIKeyGVKWTEGVPYJMNB-UHFFFAOYSA-N
MW336.30 g/mol
LogP1.08
Rot. Bonds4

About 2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide

2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 171788321) has the molecular formula C15H14F2N4O3 and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID171788321
Molecular FormulaC15H14F2N4O3
Molecular Weight336.30 g/mol
Exact Mass336.10
IUPAC Name2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C1CCC(NC(=O)c2cccc3[nH]c(C(F)CF)nc23)C(=O)N1
InChIInChI=1S/C15H14F2N4O3/c16-6-8(17)13-18-9-3-1-2-7(12(9)21-13)14(23)19-10-4-5-11(22)20-15(10)24/h1-3,8,10H,4-6H2,(H,18,21)(H,19,23)(H,20,22,24)
InChIKeyGVKWTEGVPYJMNB-UHFFFAOYSA-N
XLogP1.08
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide (CID 171788321) is 2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide is O=C1CCC(NC(=O)c2cccc3[nH]c(C(F)CF)nc23)C(=O)N1.
What is the InChIKey of 2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is GVKWTEGVPYJMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O3/c16-6-8(17)13-18-9-3-1-2-7(12(9)21-13)14(23)19-10-4-5-11(22)20-15(10)24/h1-3,8,10H,4-6H2,(H,18,21)(H,19,23)(H,20,22,24).
What are the key properties of 2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 336.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 171788321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).