N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide

C26H23ClFN5O2S — CID 10118969

IUPACN-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)s1)N1CCN(c2ccc(N(Cc3cnc[nH]3)C(=O)c3cccc(F)c3)cc2)CC1
InChIInChI=1S/C26H23ClFN5O2S/c27-24-9-8-23(36-24)26(35)32-12-10-31(11-13-32)21-4-6-22(7-5-21)33(16-20-15-29-17-30-20)25(34)18-2-1-3-19(28)14-18/h1-9,14-15,17H,10-13,16H2,(H,29,30)
InChIKeyGNTWCFACLQRFLZ-UHFFFAOYSA-N
MW524.02 g/mol
LogP5.07
Rot. Bonds6

About N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide

N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide (PubChem CID 10118969) has the molecular formula C26H23ClFN5O2S and a molecular weight of 524.02 g/mol. Its IUPAC name is N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide
PubChem CID10118969
Molecular FormulaC26H23ClFN5O2S
Molecular Weight524.02 g/mol
Exact Mass523.12
IUPAC NameN-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)s1)N1CCN(c2ccc(N(Cc3cnc[nH]3)C(=O)c3cccc(F)c3)cc2)CC1
InChIInChI=1S/C26H23ClFN5O2S/c27-24-9-8-23(36-24)26(35)32-12-10-31(11-13-32)21-4-6-22(7-5-21)33(16-20-15-29-17-30-20)25(34)18-2-1-3-19(28)14-18/h1-9,14-15,17H,10-13,16H2,(H,29,30)
InChIKeyGNTWCFACLQRFLZ-UHFFFAOYSA-N
XLogP5.07
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.02
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide 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 N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide?
The IUPAC name of N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide (CID 10118969) is N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide.
What is the SMILES notation for N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide?
The canonical SMILES for N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide is O=C(c1ccc(Cl)s1)N1CCN(c2ccc(N(Cc3cnc[nH]3)C(=O)c3cccc(F)c3)cc2)CC1.
What is the InChIKey of N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide?
The InChIKey is GNTWCFACLQRFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O2S/c27-24-9-8-23(36-24)26(35)32-12-10-31(11-13-32)21-4-6-22(7-5-21)33(16-20-15-29-17-30-20)25(34)18-2-1-3-19(28)14-18/h1-9,14-15,17H,10-13,16H2,(H,29,30).
What are the key properties of N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide?
N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide has a molecular weight of 524.02 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]phenyl]-3-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide is sourced from PubChem (CID 10118969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).