[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

C20H24N4OS — CID 97118844

IUPAC[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)cs1
InChIInChI=1S/C20H24N4OS/c1-3-6-17-21-16(12-26-17)20(25)24-10-5-8-14(11-24)19-22-15-9-4-7-13(2)18(15)23-19/h4,7,9,12,14H,3,5-6,8,10-11H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyVTDQCSBGGRLWSD-AWEZNQCLSA-N
MW368.51 g/mol
LogP4.30
Rot. Bonds4

About [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 97118844) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID97118844
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)cs1
InChIInChI=1S/C20H24N4OS/c1-3-6-17-21-16(12-26-17)20(25)24-10-5-8-14(11-24)19-22-15-9-4-7-13(2)18(15)23-19/h4,7,9,12,14H,3,5-6,8,10-11H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyVTDQCSBGGRLWSD-AWEZNQCLSA-N
XLogP4.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97149967
[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 96582134
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70719611
1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70713768
2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 56875048
tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66787018
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 70768974
3-[2-[3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenyl]propanoic acid
CID 167686172
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97131598
[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 95223362
4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
(2,5-dimethylpyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70773564

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (CID 97118844) is [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)cs1.
What is the InChIKey of [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is VTDQCSBGGRLWSD-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-3-6-17-21-16(12-26-17)20(25)24-10-5-8-14(11-24)19-22-15-9-4-7-13(2)18(15)23-19/h4,7,9,12,14H,3,5-6,8,10-11H2,1-2H3,(H,22,23)/t14-/m0/s1.
What are the key properties of [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 368.51 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97118844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).