(6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one

C18H14N4OS — CID 40900666

IUPAC(6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1C[C@H](c2cccs2)Cc2c1cnn2-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H14N4OS/c23-16-9-11(17-6-3-7-24-17)8-15-12(16)10-19-22(15)18-20-13-4-1-2-5-14(13)21-18/h1-7,10-11H,8-9H2,(H,20,21)/t11-/m1/s1
InChIKeyPAKBEVOPYVPJGP-LLVKDONJSA-N
MW334.40 g/mol
LogP3.72
Rot. Bonds2

About (6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one

(6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 40900666) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is (6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID40900666
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name(6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1C[C@H](c2cccs2)Cc2c1cnn2-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H14N4OS/c23-16-9-11(17-6-3-7-24-17)8-15-12(16)10-19-22(15)18-20-13-4-1-2-5-14(13)21-18/h1-7,10-11H,8-9H2,(H,20,21)/t11-/m1/s1
InChIKeyPAKBEVOPYVPJGP-LLVKDONJSA-N
XLogP3.72
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 40932787
(6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 41387165
1-(1H-benzimidazol-2-yl)-6-(2-hydroxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 16584409
(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 40900714
(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447090
(6R)-1-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 41387170
2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one
CID 30639392
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one
CID 17168557
(7S)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 40900592
2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 16584542
1-(1H-benzimidazol-2-yl)-3-(4-fluoroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 43903781
1-(1H-benzimidazol-2-yl)-3-(3,5-dichloroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 43903792

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one (CID 40900666) is (6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one is O=C1C[C@H](c2cccs2)Cc2c1cnn2-c1nc2ccccc2[nH]1.
What is the InChIKey of (6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is PAKBEVOPYVPJGP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-16-9-11(17-6-3-7-24-17)8-15-12(16)10-19-22(15)18-20-13-4-1-2-5-14(13)21-18/h1-7,10-11H,8-9H2,(H,20,21)/t11-/m1/s1.
What are the key properties of (6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one?
(6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 334.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 40900666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).