N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C24H21FN4O3 — CID 55848768

IUPACN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C24H21FN4O3/c25-18-3-1-15(2-4-18)22-27-20-6-5-19(13-21(20)28-22)26-23(30)16-7-10-29(11-8-16)24(31)17-9-12-32-14-17/h1-6,9,12-14,16H,7-8,10-11H2,(H,26,30)(H,27,28)
InChIKeyADKBSRSXGBXJRT-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.45
Rot. Bonds4

About N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 55848768) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID55848768
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C24H21FN4O3/c25-18-3-1-15(2-4-18)22-27-20-6-5-19(13-21(20)28-22)26-23(30)16-7-10-29(11-8-16)24(31)17-9-12-32-14-17/h1-6,9,12-14,16H,7-8,10-11H2,(H,26,30)(H,27,28)
InChIKeyADKBSRSXGBXJRT-UHFFFAOYSA-N
XLogP4.45
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-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

Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568027
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride
CID 119854445
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 99816380
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
1-(furan-3-carbonyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)piperidine-4-carboxamide
CID 86872747
[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
CID 142812894
4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide
CID 142813021
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
1-(furan-3-carbonyl)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 35685138

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 55848768) is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is ADKBSRSXGBXJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c25-18-3-1-15(2-4-18)22-27-20-6-5-19(13-21(20)28-22)26-23(30)16-7-10-29(11-8-16)24(31)17-9-12-32-14-17/h1-6,9,12-14,16H,7-8,10-11H2,(H,26,30)(H,27,28).
What are the key properties of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55848768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).