1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea

C23H29N5O2 — CID 22433853

IUPAC1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H29N5O2/c1-16-7-9-17(10-8-16)15-24-22(29)25-18-13-20-21(27(3)23(30)26(20)2)14-19(18)28-11-5-4-6-12-28/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H2,24,25,29)
InChIKeyFWDPQEQCYIDHSL-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.50
Rot. Bonds4

About 1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea

1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 22433853) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea
PubChem CID22433853
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H29N5O2/c1-16-7-9-17(10-8-16)15-24-22(29)25-18-13-20-21(27(3)23(30)26(20)2)14-19(18)28-11-5-4-6-12-28/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H2,24,25,29)
InChIKeyFWDPQEQCYIDHSL-UHFFFAOYSA-N
XLogP3.50
TPSA71.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea
CID 50791903
1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3,5-dimethylphenyl)urea
CID 28867828
N-[3-(benzylcarbamoylamino)-4-pyrrolidin-1-ylphenyl]-4-methylbenzamide
CID 46326423
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792088
1-[(2S)-butan-2-yl]-3-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)urea
CID 95050232
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
CID 24789878
ethyl 2-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyrrolidin-1-ylphenyl]carbamoylamino]acetate
CID 20964866
N-[(4-methylphenyl)methyl]-3-(2-phenylethylcarbamoylamino)-4-pyrrolidin-1-ylbenzamide
CID 20964867
ethyl 1-[1,3-dimethyl-6-[(4-methylphenyl)carbamoylamino]-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 50791911
3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
CID 47818113
1-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792297
3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide
CID 48768021

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea (CID 22433853) is 1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1.
What is the InChIKey of 1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is FWDPQEQCYIDHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-7-9-17(10-8-16)15-24-22(29)25-18-13-20-21(27(3)23(30)26(20)2)14-19(18)28-11-5-4-6-12-28/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H2,24,25,29).
What are the key properties of 1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea?
1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 407.52 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 22433853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).