3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one

C23H26N4O2 — CID 92581589

IUPAC3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESCC(C)n1c(CN2CCC(n3c(=O)oc4ccccc43)CC2)nc2ccccc21
InChIInChI=1S/C23H26N4O2/c1-16(2)26-19-8-4-3-7-18(19)24-22(26)15-25-13-11-17(12-14-25)27-20-9-5-6-10-21(20)29-23(27)28/h3-10,16-17H,11-15H2,1-2H3
InChIKeyBRLGTBAKKPTTQA-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.36
Rot. Bonds4

About 3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one

3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one (PubChem CID 92581589) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one
PubChem CID92581589
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESCC(C)n1c(CN2CCC(n3c(=O)oc4ccccc43)CC2)nc2ccccc21
InChIInChI=1S/C23H26N4O2/c1-16(2)26-19-8-4-3-7-18(19)24-22(26)15-25-13-11-17(12-14-25)27-20-9-5-6-10-21(20)29-23(27)28/h3-10,16-17H,11-15H2,1-2H3
InChIKeyBRLGTBAKKPTTQA-UHFFFAOYSA-N
XLogP4.36
TPSA56.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124821668
1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-4-carboxamide
CID 124808590
N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124822336
2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]-1-propan-2-ylbenzimidazole
CID 77090480
[4-(2-hydroxyethyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 124805714
2-[3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]propyl]phenol
CID 70313269
1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 134000947
(1S,5R)-3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122559237
[4-(2-methylphenyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 124814232
(3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124822913
3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one
CID 141058042
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 124807147

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one (CID 92581589) is 3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one is CC(C)n1c(CN2CCC(n3c(=O)oc4ccccc43)CC2)nc2ccccc21.
What is the InChIKey of 3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one?
The InChIKey is BRLGTBAKKPTTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(2)26-19-8-4-3-7-18(19)24-22(26)15-25-13-11-17(12-14-25)27-20-9-5-6-10-21(20)29-23(27)28/h3-10,16-17H,11-15H2,1-2H3.
What are the key properties of 3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one?
3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one has a molecular weight of 390.49 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 92581589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).