[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C18H21N5O — CID 94640308

IUPAC[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)n[nH]1
InChIInChI=1S/C18H21N5O/c1-12-11-14(21-20-12)18(24)23-10-6-5-9-16(23)17-19-13-7-3-4-8-15(13)22(17)2/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyHDGAKCHJDLTURI-MRXNPFEDSA-N
MW323.40 g/mol
LogP2.97
Rot. Bonds2

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

[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 94640308) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID94640308
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)n[nH]1
InChIInChI=1S/C18H21N5O/c1-12-11-14(21-20-12)18(24)23-10-6-5-9-16(23)17-19-13-7-3-4-8-15(13)22(17)2/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyHDGAKCHJDLTURI-MRXNPFEDSA-N
XLogP2.97
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91822619
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571162
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571163
methyl 2,4-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 71937675
[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 96579442
4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 75490065
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 52536369
2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 99212282
(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 51966220
1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole
CID 94179592
1-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94640388

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 94640308) is [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)n[nH]1.
What is the InChIKey of [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is HDGAKCHJDLTURI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-11-14(21-20-12)18(24)23-10-6-5-9-16(23)17-19-13-7-3-4-8-15(13)22(17)2/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 323.40 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 94640308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).