1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea

C24H26N4O — CID 135689284

IUPAC1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea
SMILESCc1cccc(C)c1/N=C(\N)NC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N4O/c1-18-10-9-11-19(2)22(18)26-23(25)27-24(29)28(16-20-12-5-3-6-13-20)17-21-14-7-4-8-15-21/h3-15H,16-17H2,1-2H3,(H3,25,26,27,29)
InChIKeyMNNFVORTEILYFX-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.66
Rot. Bonds5

About 1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea

1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea (PubChem CID 135689284) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea
PubChem CID135689284
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea
SMILESCc1cccc(C)c1/N=C(\N)NC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N4O/c1-18-10-9-11-19(2)22(18)26-23(25)27-24(29)28(16-20-12-5-3-6-13-20)17-21-14-7-4-8-15-21/h3-15H,16-17H2,1-2H3,(H3,25,26,27,29)
InChIKeyMNNFVORTEILYFX-UHFFFAOYSA-N
XLogP4.66
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea
CID 3835143
1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-3-ethylurea;isocyanatoethane
CID 135689292
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
CID 108523708
carbamothioic S-acid;dibenzylcarbamothioic S-acid
CID 87091037
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine
CID 175773289
3-amino-1-benzyl-1-methylurea
CID 43163959
1,1-dibenzylthiourea
CID 3517261
ethyl (2E)-2-(dibenzylamino)-2-(methylhydrazinylidene)acetate
CID 164518528
ethyl 2-(dibenzylamino)-2-(methylhydrazinylidene)acetate
CID 155703390
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
1-(2-aminoethyl)-1-benzyl-3-tert-butylurea
CID 61014681

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea?
The IUPAC name of 1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea (CID 135689284) is 1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea.
What is the SMILES notation for 1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea?
The canonical SMILES for 1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea is Cc1cccc(C)c1/N=C(\N)NC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea?
The InChIKey is MNNFVORTEILYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-10-9-11-19(2)22(18)26-23(25)27-24(29)28(16-20-12-5-3-6-13-20)17-21-14-7-4-8-15-21/h3-15H,16-17H2,1-2H3,(H3,25,26,27,29).
What are the key properties of 1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea?
1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea has a molecular weight of 386.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea is sourced from PubChem (CID 135689284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).