3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one

C16H18N6O — CID 133410505

IUPAC3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1ccc(N2CCCC(Nc3nc4ccccc4[nH]3)C2=O)n1
InChIInChI=1S/C16H18N6O/c1-21-10-8-14(20-21)22-9-4-7-13(15(22)23)19-16-17-11-5-2-3-6-12(11)18-16/h2-3,5-6,8,10,13H,4,7,9H2,1H3,(H2,17,18,19)
InChIKeyDGKSRALQBPUMRA-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.90
Rot. Bonds3

About 3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one

3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 133410505) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one
PubChem CID133410505
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1ccc(N2CCCC(Nc3nc4ccccc4[nH]3)C2=O)n1
InChIInChI=1S/C16H18N6O/c1-21-10-8-14(20-21)22-9-4-7-13(15(22)23)19-16-17-11-5-2-3-6-12(11)18-16/h2-3,5-6,8,10,13H,4,7,9H2,1H3,(H2,17,18,19)
InChIKeyDGKSRALQBPUMRA-UHFFFAOYSA-N
XLogP1.90
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-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

3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 63562926
3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 91646998
2-[1-[1-(1-methylpyrazol-3-yl)-4,5-dihydroimidazol-2-yl]piperidin-4-yl]-1H-benzimidazole
CID 166380777
3-[[[1-(1-methylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]methyl]-1H-quinolin-2-one
CID 154748908
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
3-(4-methyl-2-nitroanilino)-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 133341123
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 154861922
2-methyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]prop-2-ene-1-sulfonamide
CID 124621585
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
3-(1-tert-butylsulfanylpropan-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 84595384
2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one
CID 137271144

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one (CID 133410505) is 3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one is Cn1ccc(N2CCCC(Nc3nc4ccccc4[nH]3)C2=O)n1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is DGKSRALQBPUMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-21-10-8-14(20-21)22-9-4-7-13(15(22)23)19-16-17-11-5-2-3-6-12(11)18-16/h2-3,5-6,8,10,13H,4,7,9H2,1H3,(H2,17,18,19).
What are the key properties of 3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one?
3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 310.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 133410505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).