1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide

C24H26N6O — CID 29211136

IUPAC1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESCn1c(CN2CCC(C(=O)Nc3cccc(-c4ccn[nH]4)c3)CC2)nc2ccccc21
InChIInChI=1S/C24H26N6O/c1-29-22-8-3-2-7-21(22)27-23(29)16-30-13-10-17(11-14-30)24(31)26-19-6-4-5-18(15-19)20-9-12-25-28-20/h2-9,12,15,17H,10-11,13-14,16H2,1H3,(H,25,28)(H,26,31)
InChIKeyDCLOUYRAQCDSAF-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.81
Rot. Bonds5

About 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide

1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide (PubChem CID 29211136) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
PubChem CID29211136
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESCn1c(CN2CCC(C(=O)Nc3cccc(-c4ccn[nH]4)c3)CC2)nc2ccccc21
InChIInChI=1S/C24H26N6O/c1-29-22-8-3-2-7-21(22)27-23(29)16-30-13-10-17(11-14-30)24(31)26-19-6-4-5-18(15-19)20-9-12-25-28-20/h2-9,12,15,17H,10-11,13-14,16H2,1H3,(H,25,28)(H,26,31)
InChIKeyDCLOUYRAQCDSAF-UHFFFAOYSA-N
XLogP3.81
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide (CID 29211136) is 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide is Cn1c(CN2CCC(C(=O)Nc3cccc(-c4ccn[nH]4)c3)CC2)nc2ccccc21.
What is the InChIKey of 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is DCLOUYRAQCDSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-29-22-8-3-2-7-21(22)27-23(29)16-30-13-10-17(11-14-30)24(31)26-19-6-4-5-18(15-19)20-9-12-25-28-20/h2-9,12,15,17H,10-11,13-14,16H2,1H3,(H,25,28)(H,26,31).
What are the key properties of 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 29211136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).