2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide

C24H26N6O3 — CID 175549175

IUPAC2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCOc1cc(C2CC(n3c(=O)[nH]c4c(-n5cccn5)cccc43)CCN2C(N)=O)ccc1C
InChIInChI=1S/C24H26N6O3/c1-15-7-8-16(13-21(15)33-2)20-14-17(9-12-28(20)23(25)31)30-19-6-3-5-18(22(19)27-24(30)32)29-11-4-10-26-29/h3-8,10-11,13,17,20H,9,12,14H2,1-2H3,(H2,25,31)(H,27,32)
InChIKeyFKKWRKXEXNZMCI-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.29
Rot. Bonds4

About 2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide

2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 175549175) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide
PubChem CID175549175
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCOc1cc(C2CC(n3c(=O)[nH]c4c(-n5cccn5)cccc43)CCN2C(N)=O)ccc1C
InChIInChI=1S/C24H26N6O3/c1-15-7-8-16(13-21(15)33-2)20-14-17(9-12-28(20)23(25)31)30-19-6-3-5-18(22(19)27-24(30)32)29-11-4-10-26-29/h3-8,10-11,13,17,20H,9,12,14H2,1-2H3,(H2,25,31)(H,27,32)
InChIKeyFKKWRKXEXNZMCI-UHFFFAOYSA-N
XLogP3.29
TPSA111.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide (CID 175549175) is 2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide is COc1cc(C2CC(n3c(=O)[nH]c4c(-n5cccn5)cccc43)CCN2C(N)=O)ccc1C.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is FKKWRKXEXNZMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-15-7-8-16(13-21(15)33-2)20-14-17(9-12-28(20)23(25)31)30-19-6-3-5-18(22(19)27-24(30)32)29-11-4-10-26-29/h3-8,10-11,13,17,20H,9,12,14H2,1-2H3,(H2,25,31)(H,27,32).
What are the key properties of 2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 175549175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).