3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

C29H27N5O3 — CID 42755443

IUPAC3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1cccc(-c2cc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C29H27N5O3/c1-37-23-11-7-8-20(18-23)25-19-27(34(31-25)22-9-3-2-4-10-22)28(35)32-16-14-21(15-17-32)33-26-13-6-5-12-24(26)30-29(33)36/h2-13,18-19,21H,14-17H2,1H3,(H,30,36)
InChIKeyABMUDHVZHMBDCK-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.67
Rot. Bonds5

About 3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 42755443) has the molecular formula C29H27N5O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is 3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID42755443
Molecular FormulaC29H27N5O3
Molecular Weight493.57 g/mol
Exact Mass493.21
IUPAC Name3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1cccc(-c2cc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C29H27N5O3/c1-37-23-11-7-8-20(18-23)25-19-27(34(31-25)22-9-3-2-4-10-22)28(35)32-16-14-21(15-17-32)33-26-13-6-5-12-24(26)30-29(33)36/h2-13,18-19,21H,14-17H2,1H3,(H,30,36)
InChIKeyABMUDHVZHMBDCK-UHFFFAOYSA-N
XLogP4.67
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42755382
3-[1-[1-(3-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42665803
3-[1-[1-(3-chlorophenyl)-3-(4-nitrophenyl)pyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42662926
3-[1-[2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46079563
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 4001728
3-[1-[3-(2-chlorophenyl)-1-(3-nitrophenyl)pyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 3291223
[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4046397
1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 4242006
3-[1-[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46079696
ethyl 1-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 42755460
3-[1-(1-methyl-3-phenylpyrazole-5-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632068
formic acid;3-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 171678507

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 42755443) is 3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is COc1cccc(-c2cc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)n(-c3ccccc3)n2)c1.
What is the InChIKey of 3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is ABMUDHVZHMBDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3/c1-37-23-11-7-8-20(18-23)25-19-27(34(31-25)22-9-3-2-4-10-22)28(35)32-16-14-21(15-17-32)33-26-13-6-5-12-24(26)30-29(33)36/h2-13,18-19,21H,14-17H2,1H3,(H,30,36).
What are the key properties of 3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 493.57 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 42755443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).