1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol

C24H33N5O5 — CID 110168420

IUPAC1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol
SMILESCNC(=O)Nc1ccc(OCC(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1.CO
InChIInChI=1S/C23H29N5O4.CH4O/c1-24-22(30)25-16-6-8-19(9-7-16)32-15-18(29)14-27-12-10-17(11-13-27)28-21-5-3-2-4-20(21)26-23(28)31;1-2/h2-9,17-18,29H,10-15H2,1H3,(H,26,31)(H2,24,25,30);2H,1H3
InChIKeyUNFWWRKWKMHOQS-UHFFFAOYSA-N
MW471.56 g/mol
LogP1.77
Rot. Bonds7

About 1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol

1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol (PubChem CID 110168420) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol.

Molecular Properties

Compound Name1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol
PubChem CID110168420
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC Name1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol
SMILESCNC(=O)Nc1ccc(OCC(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1.CO
InChIInChI=1S/C23H29N5O4.CH4O/c1-24-22(30)25-16-6-8-19(9-7-16)32-15-18(29)14-27-12-10-17(11-13-27)28-21-5-3-2-4-20(21)26-23(28)31;1-2/h2-9,17-18,29H,10-15H2,1H3,(H,26,31)(H2,24,25,30);2H,1H3
InChIKeyUNFWWRKWKMHOQS-UHFFFAOYSA-N
XLogP1.77
TPSA131.85 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 51.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[2-hydroxy-3-(oxan-4-yloxy)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126785090
3-[1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126772981
3-[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126769361
(4-methylphenyl) 4-[[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetyl]amino]benzoate
CID 70288089
3-[1-[2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperidin-4-yl]-1H-benzimidazol-2-one;oxalic acid
CID 110168486
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
butan-1-ol;3-[1-[3-(2-chloro-4-methylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 110168472
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 46632003
3-[1-[4-(4-chlorophenyl)-2-hydroxybutyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 110168481
3-[1-(2-hydroxy-2-naphthalen-2-ylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 12915864
3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 110168464

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol?
The IUPAC name of 1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol (CID 110168420) is 1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol.
What is the SMILES notation for 1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol?
The canonical SMILES for 1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol is CNC(=O)Nc1ccc(OCC(O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1.CO.
What is the InChIKey of 1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol?
The InChIKey is UNFWWRKWKMHOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4.CH4O/c1-24-22(30)25-16-6-8-19(9-7-16)32-15-18(29)14-27-12-10-17(11-13-27)28-21-5-3-2-4-20(21)26-23(28)31;1-2/h2-9,17-18,29H,10-15H2,1H3,(H,26,31)(H2,24,25,30);2H,1H3.
What are the key properties of 1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol?
1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol has a molecular weight of 471.56 g/mol, XLogP of 1.77, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]-3-methylurea;methanol is sourced from PubChem (CID 110168420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).