1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea

C20H20Cl2N4O — CID 42819668

IUPAC1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea
SMILESCCNC(=O)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C20H20Cl2N4O/c1-2-23-20(27)26(17-6-4-3-5-7-17)14-19-24-10-11-25(19)13-15-8-9-16(21)12-18(15)22/h3-12H,2,13-14H2,1H3,(H,23,27)
InChIKeyMFJCARNLNZJSKB-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.97
Rot. Bonds6

About 1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea

1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea (PubChem CID 42819668) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is 1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea.

Molecular Properties

Compound Name1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea
PubChem CID42819668
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC Name1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea
SMILESCCNC(=O)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C20H20Cl2N4O/c1-2-23-20(27)26(17-6-4-3-5-7-17)14-19-24-10-11-25(19)13-15-8-9-16(21)12-18(15)22/h3-12H,2,13-14H2,1H3,(H,23,27)
InChIKeyMFJCARNLNZJSKB-UHFFFAOYSA-N
XLogP4.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819600
N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 42818937
3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea
CID 42819635
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
CID 144709386
1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole
CID 115769752
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide
CID 42819032
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 144709444
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
1-benzyl-3-[(2-chlorophenyl)methyl]-1-phenylurea
CID 108897704
1-(3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744909
3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819679
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea?
The IUPAC name of 1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea (CID 42819668) is 1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea.
What is the SMILES notation for 1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea?
The canonical SMILES for 1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea is CCNC(=O)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea?
The InChIKey is MFJCARNLNZJSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c1-2-23-20(27)26(17-6-4-3-5-7-17)14-19-24-10-11-25(19)13-15-8-9-16(21)12-18(15)22/h3-12H,2,13-14H2,1H3,(H,23,27).
What are the key properties of 1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea?
1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea has a molecular weight of 403.31 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea is sourced from PubChem (CID 42819668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).