1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea

C11H10Cl2N4O — CID 64531467

IUPAC1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
SMILESO=C(NCc1ncc[nH]1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4O/c12-8-2-1-7(5-9(8)13)17-11(18)16-6-10-14-3-4-15-10/h1-5H,6H2,(H,14,15)(H2,16,17,18)
InChIKeyHWAXRSKBKXEPEA-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.04
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea

1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea (PubChem CID 64531467) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
PubChem CID64531467
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
SMILESO=C(NCc1ncc[nH]1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4O/c12-8-2-1-7(5-9(8)13)17-11(18)16-6-10-14-3-4-15-10/h1-5H,6H2,(H,14,15)(H2,16,17,18)
InChIKeyHWAXRSKBKXEPEA-UHFFFAOYSA-N
XLogP3.04
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]acetic acid
CID 64524531
3-[4-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340971
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea
CID 64524358
1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-ylmethyl)urea
CID 110446996
2-chloro-6-(1H-imidazol-2-ylmethylcarbamoylamino)benzoic acid
CID 64525317
N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 75438864
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64519520
1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea
CID 75389671
1-(3,4-dichlorophenyl)-3-(2,3-dihydroxypropyl)urea
CID 3712239
1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
CID 40653606

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea (CID 64531467) is 1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea is O=C(NCc1ncc[nH]1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea?
The InChIKey is HWAXRSKBKXEPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c12-8-2-1-7(5-9(8)13)17-11(18)16-6-10-14-3-4-15-10/h1-5H,6H2,(H,14,15)(H2,16,17,18).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea?
1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea has a molecular weight of 285.13 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea is sourced from PubChem (CID 64531467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).