N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide

C19H16ClN3OS — CID 18120455

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide
SMILESO=C(NC1CCSc2ccc(Cl)cc21)c1cncn1-c1ccccc1
InChIInChI=1S/C19H16ClN3OS/c20-13-6-7-18-15(10-13)16(8-9-25-18)22-19(24)17-11-21-12-23(17)14-4-2-1-3-5-14/h1-7,10-12,16H,8-9H2,(H,22,24)
InChIKeyGQEOVQCRRLBNPM-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.49
Rot. Bonds3

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide (PubChem CID 18120455) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide
PubChem CID18120455
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide
SMILESO=C(NC1CCSc2ccc(Cl)cc21)c1cncn1-c1ccccc1
InChIInChI=1S/C19H16ClN3OS/c20-13-6-7-18-15(10-13)16(8-9-25-18)22-19(24)17-11-21-12-23(17)14-4-2-1-3-5-14/h1-7,10-12,16H,8-9H2,(H,22,24)
InChIKeyGQEOVQCRRLBNPM-UHFFFAOYSA-N
XLogP4.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
CID 17479306
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 42921903
5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide
CID 25400960
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide
CID 17484910
4-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 60697768
2,3-dichloro-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 46656545
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26002414
3-chloro-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468668
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31692872
N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride
CID 119478845
5-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)furan-2-carboxamide
CID 60697597

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide (CID 18120455) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide is O=C(NC1CCSc2ccc(Cl)cc21)c1cncn1-c1ccccc1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide?
The InChIKey is GQEOVQCRRLBNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c20-13-6-7-18-15(10-13)16(8-9-25-18)22-19(24)17-11-21-12-23(17)14-4-2-1-3-5-14/h1-7,10-12,16H,8-9H2,(H,22,24).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide has a molecular weight of 369.88 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 18120455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).