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

C24H34N4O2 — CID 25029425

IUPAC5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(C3CCN(C4CCC(C(=O)N5CCCC5)CC4)CC3)c2c1
InChIInChI=1S/C24H34N4O2/c1-17-4-9-21-22(16-17)28(24(30)25-21)20-10-14-26(15-11-20)19-7-5-18(6-8-19)23(29)27-12-2-3-13-27/h4,9,16,18-20H,2-3,5-8,10-15H2,1H3,(H,25,30)
InChIKeyUNBBRXLFUCLQBF-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.46
Rot. Bonds3

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

5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 25029425) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID25029425
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(C3CCN(C4CCC(C(=O)N5CCCC5)CC4)CC3)c2c1
InChIInChI=1S/C24H34N4O2/c1-17-4-9-21-22(16-17)28(24(30)25-21)20-10-14-26(15-11-20)19-7-5-18(6-8-19)23(29)27-12-2-3-13-27/h4,9,16,18-20H,2-3,5-8,10-15H2,1H3,(H,25,30)
InChIKeyUNBBRXLFUCLQBF-UHFFFAOYSA-N
XLogP3.46
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 25029425) is 5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccc2[nH]c(=O)n(C3CCN(C4CCC(C(=O)N5CCCC5)CC4)CC3)c2c1.
What is the InChIKey of 5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is UNBBRXLFUCLQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-17-4-9-21-22(16-17)28(24(30)25-21)20-10-14-26(15-11-20)19-7-5-18(6-8-19)23(29)27-12-2-3-13-27/h4,9,16,18-20H,2-3,5-8,10-15H2,1H3,(H,25,30).
What are the key properties of 5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 410.56 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 25029425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).