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

C24H35N3O2 — CID 163657672

IUPAC3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(C3CCN(CC4CCC(OCC5CC5)CC4)CC3)c2c1
InChIInChI=1S/C24H35N3O2/c1-17-2-9-22-23(14-17)27(24(28)25-22)20-10-12-26(13-11-20)15-18-5-7-21(8-6-18)29-16-19-3-4-19/h2,9,14,18-21H,3-8,10-13,15-16H2,1H3,(H,25,28)
InChIKeyIRQWLFOSHHNHQE-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.26
Rot. Bonds6

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

3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one (PubChem CID 163657672) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one
PubChem CID163657672
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(C3CCN(CC4CCC(OCC5CC5)CC4)CC3)c2c1
InChIInChI=1S/C24H35N3O2/c1-17-2-9-22-23(14-17)27(24(28)25-22)20-10-12-26(13-11-20)15-18-5-7-21(8-6-18)29-16-19-3-4-19/h2,9,14,18-21H,3-8,10-13,15-16H2,1H3,(H,25,28)
InChIKeyIRQWLFOSHHNHQE-UHFFFAOYSA-N
XLogP4.26
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one (CID 163657672) is 3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one is Cc1ccc2[nH]c(=O)n(C3CCN(CC4CCC(OCC5CC5)CC4)CC3)c2c1.
What is the InChIKey of 3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one?
The InChIKey is IRQWLFOSHHNHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-17-2-9-22-23(14-17)27(24(28)25-22)20-10-12-26(13-11-20)15-18-5-7-21(8-6-18)29-16-19-3-4-19/h2,9,14,18-21H,3-8,10-13,15-16H2,1H3,(H,25,28).
What are the key properties of 3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one?
3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one has a molecular weight of 397.56 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-(cyclopropylmethoxy)cyclohexyl]methyl]piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 163657672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).