2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide

C22H14F3N5O — CID 56561489

IUPAC2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C22H14F3N5O/c23-13-3-1-2-11(8-13)20-27-16-7-5-14(10-18(16)29-20)26-22(31)12-4-6-15-17(9-12)30-21(28-15)19(24)25/h1-10,19H,(H,26,31)(H,27,29)(H,28,30)
InChIKeyUDGOYRCMPFULAC-UHFFFAOYSA-N
MW421.38 g/mol
LogP5.44
Rot. Bonds4

About 2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide

2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 56561489) has the molecular formula C22H14F3N5O and a molecular weight of 421.38 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
PubChem CID56561489
Molecular FormulaC22H14F3N5O
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C22H14F3N5O/c23-13-3-1-2-11(8-13)20-27-16-7-5-14(10-18(16)29-20)26-22(31)12-4-6-15-17(9-12)30-21(28-15)19(24)25/h1-10,19H,(H,26,31)(H,27,29)(H,28,30)
InChIKeyUDGOYRCMPFULAC-UHFFFAOYSA-N
XLogP5.44
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.38
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-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

2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide
CID 52662842
3-fluoro-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)benzamide
CID 56762590
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60534337
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
CID 56737080
2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate
CID 56561529
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55863776
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide
CID 75391625
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide (CID 56561489) is 2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1ccc2nc(C(F)F)[nH]c2c1.
What is the InChIKey of 2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is UDGOYRCMPFULAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O/c23-13-3-1-2-11(8-13)20-27-16-7-5-14(10-18(16)29-20)26-22(31)12-4-6-15-17(9-12)30-21(28-15)19(24)25/h1-10,19H,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of 2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide?
2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 5.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56561489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).