[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone

C24H25N5O — CID 46975714

IUPAC[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(c4nc5ccccc5n4C)C3)[nH]n2)cc1
InChIInChI=1S/C24H25N5O/c1-16-9-11-17(12-10-16)20-14-21(27-26-20)24(30)29-13-5-6-18(15-29)23-25-19-7-3-4-8-22(19)28(23)2/h3-4,7-12,14,18H,5-6,13,15H2,1-2H3,(H,26,27)
InChIKeyRGBDPYFBXODJRC-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.29
Rot. Bonds3

About [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 46975714) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID46975714
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(c4nc5ccccc5n4C)C3)[nH]n2)cc1
InChIInChI=1S/C24H25N5O/c1-16-9-11-17(12-10-16)20-14-21(27-26-20)24(30)29-13-5-6-18(15-29)23-25-19-7-3-4-8-22(19)28(23)2/h3-4,7-12,14,18H,5-6,13,15H2,1-2H3,(H,26,27)
InChIKeyRGBDPYFBXODJRC-UHFFFAOYSA-N
XLogP4.29
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
(4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 92626049
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 154833106
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46974543
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone
CID 91947097
2-(3,5-dimethylphenoxy)-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91946926
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947084

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (CID 46975714) is [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCCC(c4nc5ccccc5n4C)C3)[nH]n2)cc1.
What is the InChIKey of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is RGBDPYFBXODJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-16-9-11-17(12-10-16)20-14-21(27-26-20)24(30)29-13-5-6-18(15-29)23-25-19-7-3-4-8-22(19)28(23)2/h3-4,7-12,14,18H,5-6,13,15H2,1-2H3,(H,26,27).
What are the key properties of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 399.50 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 46975714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).