N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide

C19H18FN3OS — CID 47088892

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NC3CCSc4ccc(F)cc43)ccc2n1C
InChIInChI=1S/C19H18FN3OS/c1-11-21-16-9-12(3-5-17(16)23(11)2)19(24)22-15-7-8-25-18-6-4-13(20)10-14(15)18/h3-6,9-10,15H,7-8H2,1-2H3,(H,22,24)
InChIKeyKDNYUJFMTIBPLH-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.99
Rot. Bonds2

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide (PubChem CID 47088892) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide
PubChem CID47088892
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NC3CCSc4ccc(F)cc43)ccc2n1C
InChIInChI=1S/C19H18FN3OS/c1-11-21-16-9-12(3-5-17(16)23(11)2)19(24)22-15-7-8-25-18-6-4-13(20)10-14(15)18/h3-6,9-10,15H,7-8H2,1-2H3,(H,22,24)
InChIKeyKDNYUJFMTIBPLH-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
CID 26468733
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 41036870
4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468741
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26002579
3-chloro-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468668
3-(2,2-dimethylpropanoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 55527753
4-(difluoromethoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybenzamide
CID 24509572
4-(ethylsulfanylmethyl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 75903187
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 43072724
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide;hydrochloride
CID 119274645
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(prop-2-enoylamino)benzamide
CID 166403528

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide (CID 47088892) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NC3CCSc4ccc(F)cc43)ccc2n1C.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide?
The InChIKey is KDNYUJFMTIBPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-11-21-16-9-12(3-5-17(16)23(11)2)19(24)22-15-7-8-25-18-6-4-13(20)10-14(15)18/h3-6,9-10,15H,7-8H2,1-2H3,(H,22,24).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 47088892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).