N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide

C27H25FN4OS — CID 155512392

IUPACN-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cc(-c2nc(SCc3ccccc3)[nH]c2-c2ccc(F)cc2)ccn1)C1CCCC1
InChIInChI=1S/C27H25FN4OS/c28-22-12-10-19(11-13-22)24-25(32-27(31-24)34-17-18-6-2-1-3-7-18)21-14-15-29-23(16-21)30-26(33)20-8-4-5-9-20/h1-3,6-7,10-16,20H,4-5,8-9,17H2,(H,31,32)(H,29,30,33)
InChIKeyYRYHREVRGLXBSJ-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.70
Rot. Bonds7

About N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide

N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide (PubChem CID 155512392) has the molecular formula C27H25FN4OS and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide
PubChem CID155512392
Molecular FormulaC27H25FN4OS
Molecular Weight472.59 g/mol
Exact Mass472.17
IUPAC NameN-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cc(-c2nc(SCc3ccccc3)[nH]c2-c2ccc(F)cc2)ccn1)C1CCCC1
InChIInChI=1S/C27H25FN4OS/c28-22-12-10-19(11-13-22)24-25(32-27(31-24)34-17-18-6-2-1-3-7-18)21-14-15-29-23(16-21)30-26(33)20-8-4-5-9-20/h1-3,6-7,10-16,20H,4-5,8-9,17H2,(H,31,32)(H,29,30,33)
InChIKeyYRYHREVRGLXBSJ-UHFFFAOYSA-N
XLogP6.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-chloropyridine
CID 11732012
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(2-phenylethyl)pyridin-2-amine
CID 10971477
4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]benzenesulfonamide
CID 18463782
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 90465135
4-[2-(cyclohexylmethylsulfanyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
CID 11014045
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 11101536
4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide
CID 54340292
2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol
CID 11810939
N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide
CID 53239062
(E)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 52945955
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 129017972
2-[(4-methylphenyl)methylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 3773711

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide (CID 155512392) is N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cc(-c2nc(SCc3ccccc3)[nH]c2-c2ccc(F)cc2)ccn1)C1CCCC1.
What is the InChIKey of N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide?
The InChIKey is YRYHREVRGLXBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4OS/c28-22-12-10-19(11-13-22)24-25(32-27(31-24)34-17-18-6-2-1-3-7-18)21-14-15-29-23(16-21)30-26(33)20-8-4-5-9-20/h1-3,6-7,10-16,20H,4-5,8-9,17H2,(H,31,32)(H,29,30,33).
What are the key properties of N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide?
N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide has a molecular weight of 472.59 g/mol, XLogP of 6.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 155512392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).