1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

C20H25N5O — CID 70768103

IUPAC1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCCC(c3nc4c(C)cccc4[nH]3)C2)n1
InChIInChI=1S/C20H25N5O/c1-14-5-3-7-17-19(14)22-20(21-17)16-6-4-10-24(13-16)18(26)9-12-25-11-8-15(2)23-25/h3,5,7-8,11,16H,4,6,9-10,12-13H2,1-2H3,(H,21,22)
InChIKeyCACDDXJGROFADX-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.17
Rot. Bonds4

About 1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (PubChem CID 70768103) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
PubChem CID70768103
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCCC(c3nc4c(C)cccc4[nH]3)C2)n1
InChIInChI=1S/C20H25N5O/c1-14-5-3-7-17-19(14)22-20(21-17)16-6-4-10-24(13-16)18(26)9-12-25-11-8-15(2)23-25/h3,5,7-8,11,16H,4,6,9-10,12-13H2,1-2H3,(H,21,22)
InChIKeyCACDDXJGROFADX-UHFFFAOYSA-N
XLogP3.17
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 56875048
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 70746246
(2,5-dimethylpyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70773564
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97149967
tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66787018
3-[2-[3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenyl]propanoic acid
CID 167686172
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
CID 97113047
4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
4-[(3R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid
CID 97189611
3-(3-methylpyrazol-1-yl)-1-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 125021719
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 70737912
1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70713768

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (CID 70768103) is 1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is Cc1ccn(CCC(=O)N2CCCC(c3nc4c(C)cccc4[nH]3)C2)n1.
What is the InChIKey of 1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The InChIKey is CACDDXJGROFADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-5-3-7-17-19(14)22-20(21-17)16-6-4-10-24(13-16)18(26)9-12-25-11-8-15(2)23-25/h3,5,7-8,11,16H,4,6,9-10,12-13H2,1-2H3,(H,21,22).
What are the key properties of 1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one has a molecular weight of 351.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 70768103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).