3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

C28H26N4O2 — CID 25071397

IUPAC3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)c(-c3ccccc3)c2c1
InChIInChI=1S/C28H26N4O2/c1-18-11-12-22-21(17-18)25(19-7-3-2-4-8-19)26(29-22)27(33)31-15-13-20(14-16-31)32-24-10-6-5-9-23(24)30-28(32)34/h2-12,17,20,29H,13-16H2,1H3,(H,30,34)
InChIKeyKEAWEDZIKZBILI-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.26
Rot. Bonds3

About 3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 25071397) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID25071397
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)c(-c3ccccc3)c2c1
InChIInChI=1S/C28H26N4O2/c1-18-11-12-22-21(17-18)25(19-7-3-2-4-8-19)26(29-22)27(33)31-15-13-20(14-16-31)32-24-10-6-5-9-23(24)30-28(32)34/h2-12,17,20,29H,13-16H2,1H3,(H,30,34)
InChIKeyKEAWEDZIKZBILI-UHFFFAOYSA-N
XLogP5.26
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
3-[1-(2-methyl-5-methylsulfanylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 52559061
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 154839744
3-[1-[1-(3-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42665803
3-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735717
4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 55431976
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 46407972

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 25071397) is 3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccc2[nH]c(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)c(-c3ccccc3)c2c1.
What is the InChIKey of 3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is KEAWEDZIKZBILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-18-11-12-22-21(17-18)25(19-7-3-2-4-8-19)26(29-22)27(33)31-15-13-20(14-16-31)32-24-10-6-5-9-23(24)30-28(32)34/h2-12,17,20,29H,13-16H2,1H3,(H,30,34).
What are the key properties of 3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 450.54 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methyl-3-phenyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 25071397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).