(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one

C19H16N4O2 — CID 40900714

IUPAC(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@@H](c1ccco1)C2
InChIInChI=1S/C19H16N4O2/c1-11-18-15(9-12(10-16(18)24)17-7-4-8-25-17)23(22-11)19-20-13-5-2-3-6-14(13)21-19/h2-8,12H,9-10H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyNQZVXUIDMFJEHC-LBPRGKRZSA-N
MW332.36 g/mol
LogP3.56
Rot. Bonds2

About (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one

(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 40900714) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID40900714
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@@H](c1ccco1)C2
InChIInChI=1S/C19H16N4O2/c1-11-18-15(9-12(10-16(18)24)17-7-4-8-25-17)23(22-11)19-20-13-5-2-3-6-14(13)21-19/h2-8,12H,9-10H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyNQZVXUIDMFJEHC-LBPRGKRZSA-N
XLogP3.56
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-(4-methylanilino)-6,7-dihydro-5H-indazol-4-one
CID 43903779
1-(1H-benzimidazol-2-yl)-6-(2-hydroxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 16584409
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
(6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447099
(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-(2-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 41387170
(6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 675383
1-[3,5-bis(trifluoromethyl)phenyl]-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 23246851
1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 43903769
6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 16584384
1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluoroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 43903741

Frequently Asked Questions

What is the IUPAC name of (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one (CID 40900714) is (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one is Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@@H](c1ccco1)C2.
What is the InChIKey of (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is NQZVXUIDMFJEHC-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-18-15(9-12(10-16(18)24)17-7-4-8-25-17)23(22-11)19-20-13-5-2-3-6-14(13)21-19/h2-8,12H,9-10H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 332.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 40900714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).