[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone

C21H25N5O — CID 97113047

IUPAC[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
SMILESCc1cccc2[nH]c([C@H]3CCCN(C(=O)C4(Cn5cccn5)CC4)C3)nc12
InChIInChI=1S/C21H25N5O/c1-15-5-2-7-17-18(15)24-19(23-17)16-6-3-11-25(13-16)20(27)21(8-9-21)14-26-12-4-10-22-26/h2,4-5,7,10,12,16H,3,6,8-9,11,13-14H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyWRYDZOHPLVCJSD-INIZCTEOSA-N
MW363.47 g/mol
LogP3.25
Rot. Bonds4

About [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone

[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone (PubChem CID 97113047) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
PubChem CID97113047
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
SMILESCc1cccc2[nH]c([C@H]3CCCN(C(=O)C4(Cn5cccn5)CC4)C3)nc12
InChIInChI=1S/C21H25N5O/c1-15-5-2-7-17-18(15)24-19(23-17)16-6-3-11-25(13-16)20(27)21(8-9-21)14-26-12-4-10-22-26/h2,4-5,7,10,12,16H,3,6,8-9,11,13-14H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyWRYDZOHPLVCJSD-INIZCTEOSA-N
XLogP3.25
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone with MolForge

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Related Compounds

2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 56875048
1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 70768103
tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66787018
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
CID 96576304
4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97149967
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70719611
[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 97141987
1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70713768
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
(1-tert-butylpyrrol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 72868287

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The IUPAC name of [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone (CID 97113047) is [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone.
What is the SMILES notation for [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The canonical SMILES for [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone is Cc1cccc2[nH]c([C@H]3CCCN(C(=O)C4(Cn5cccn5)CC4)C3)nc12.
What is the InChIKey of [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The InChIKey is WRYDZOHPLVCJSD-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-5-2-7-17-18(15)24-19(23-17)16-6-3-11-25(13-16)20(27)21(8-9-21)14-26-12-4-10-22-26/h2,4-5,7,10,12,16H,3,6,8-9,11,13-14H2,1H3,(H,23,24)/t16-/m0/s1.
What are the key properties of [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone has a molecular weight of 363.47 g/mol, XLogP of 3.25, 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]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone is sourced from PubChem (CID 97113047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).