1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea

C20H21ClN4O3 — CID 17492515

IUPAC1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCOc1cc(OC)cc(C(NC(=O)Nc2cccc(Cl)c2)c2nccn2C)c1
InChIInChI=1S/C20H21ClN4O3/c1-25-8-7-22-19(25)18(13-9-16(27-2)12-17(10-13)28-3)24-20(26)23-15-6-4-5-14(21)11-15/h4-12,18H,1-3H3,(H2,23,24,26)
InChIKeyBIODLLHCYAVICA-UHFFFAOYSA-N
MW400.87 g/mol
LogP4.00
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea

1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea (PubChem CID 17492515) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
PubChem CID17492515
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCOc1cc(OC)cc(C(NC(=O)Nc2cccc(Cl)c2)c2nccn2C)c1
InChIInChI=1S/C20H21ClN4O3/c1-25-8-7-22-19(25)18(13-9-16(27-2)12-17(10-13)28-3)24-20(26)23-15-6-4-5-14(21)11-15/h4-12,18H,1-3H3,(H2,23,24,26)
InChIKeyBIODLLHCYAVICA-UHFFFAOYSA-N
XLogP4.00
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430449
1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41036758
2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55456727
1-(3,4-dichlorophenyl)-3-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25325163
1-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-pyridin-3-ylurea
CID 41022660
1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea
CID 110473515
1-[2-(3-chlorophenyl)ethyl]-3-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36524692
1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-nitrophenyl)urea
CID 17493786
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413
1-[(3,5-dimethoxyphenyl)methyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55910496
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea (CID 17492515) is 1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea is COc1cc(OC)cc(C(NC(=O)Nc2cccc(Cl)c2)c2nccn2C)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is BIODLLHCYAVICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-25-8-7-22-19(25)18(13-9-16(27-2)12-17(10-13)28-3)24-20(26)23-15-6-4-5-14(21)11-15/h4-12,18H,1-3H3,(H2,23,24,26).
What are the key properties of 1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 400.87 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 17492515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).