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

C22H21N5O2 — CID 43903767

IUPAC1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1cccc(Nc2nn(-c3nc4ccccc4[nH]3)c3c2C(=O)CC(C)C3)c1
InChIInChI=1S/C22H21N5O2/c1-13-10-18-20(19(28)11-13)21(23-14-6-5-7-15(12-14)29-2)26-27(18)22-24-16-8-3-4-9-17(16)25-22/h3-9,12-13H,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyIWSNMUREVDSVCA-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.27
Rot. Bonds4

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

1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 43903767) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID43903767
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1cccc(Nc2nn(-c3nc4ccccc4[nH]3)c3c2C(=O)CC(C)C3)c1
InChIInChI=1S/C22H21N5O2/c1-13-10-18-20(19(28)11-13)21(23-14-6-5-7-15(12-14)29-2)26-27(18)22-24-16-8-3-4-9-17(16)25-22/h3-9,12-13H,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyIWSNMUREVDSVCA-UHFFFAOYSA-N
XLogP4.27
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-benzimidazol-2-yl)-6-methyl-3-[3-(trifluoromethyl)anilino]-6,7-dihydro-5H-indazol-4-one
CID 43903760
1-(1H-benzimidazol-2-yl)-3-(2-fluoroanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 43903759
1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 43903769
(6S)-1-(4-methoxyphenyl)-6-methyl-3-(3-methylanilino)-6,7-dihydro-5H-indazol-4-one
CID 29157338
3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 17035497
(6R)-3-(4-fluoroanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 29157323
(6R)-1-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 41387170
3-(3,4-dichloroanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 17035506
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
6-methyl-3-(naphthalen-2-ylamino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 16652711
1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-(4-methylanilino)-6,7-dihydro-5H-indazol-4-one
CID 43903779

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one (CID 43903767) is 1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one is COc1cccc(Nc2nn(-c3nc4ccccc4[nH]3)c3c2C(=O)CC(C)C3)c1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is IWSNMUREVDSVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-13-10-18-20(19(28)11-13)21(23-14-6-5-7-15(12-14)29-2)26-27(18)22-24-16-8-3-4-9-17(16)25-22/h3-9,12-13H,10-11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one?
1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 387.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 43903767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).