(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C19H23N5O — CID 97071724

IUPAC(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2nc([C@H]3CCCN(C(=O)c4cnn(C)c4C)C3)[nH]c2c1
InChIInChI=1S/C19H23N5O/c1-12-6-7-16-17(9-12)22-18(21-16)14-5-4-8-24(11-14)19(25)15-10-20-23(3)13(15)2/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyATLUUFMYALDEHG-AWEZNQCLSA-N
MW337.43 g/mol
LogP2.93
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 97071724) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID97071724
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2nc([C@H]3CCCN(C(=O)c4cnn(C)c4C)C3)[nH]c2c1
InChIInChI=1S/C19H23N5O/c1-12-6-7-16-17(9-12)22-18(21-16)14-5-4-8-24(11-14)19(25)15-10-20-23(3)13(15)2/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyATLUUFMYALDEHG-AWEZNQCLSA-N
XLogP2.93
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone 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-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224
2-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136735500
6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 97071722
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
2-methyl-1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 122137072
N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 3223990
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
(3S)-N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 7099391
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone
CID 91946798
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 129428981
(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756879
7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 110225052

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 97071724) is (1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is Cc1ccc2nc([C@H]3CCCN(C(=O)c4cnn(C)c4C)C3)[nH]c2c1.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ATLUUFMYALDEHG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-6-7-16-17(9-12)22-18(21-16)14-5-4-8-24(11-14)19(25)15-10-20-23(3)13(15)2/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 337.43 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97071724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).