1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea

C18H16Cl2N4O — CID 41430449

IUPAC1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCn1ccnc1[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2N4O/c1-24-10-9-21-17(24)16(12-5-7-13(19)8-6-12)23-18(25)22-15-4-2-3-14(20)11-15/h2-11,16H,1H3,(H2,22,23,25)/t16-/m1/s1
InChIKeyLPHDFVUXGQIEHC-MRXNPFEDSA-N
MW375.26 g/mol
LogP4.64
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea

1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea (PubChem CID 41430449) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
PubChem CID41430449
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCn1ccnc1[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2N4O/c1-24-10-9-21-17(24)16(12-5-7-13(19)8-6-12)23-18(25)22-15-4-2-3-14(20)11-15/h2-11,16H,1H3,(H2,22,23,25)/t16-/m1/s1
InChIKeyLPHDFVUXGQIEHC-MRXNPFEDSA-N
XLogP4.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413
1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41036758
1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17492515
1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea
CID 110473515
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea
CID 41430470
1-(3,4-dichlorophenyl)-3-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25325163
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
CID 42954342
1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea
CID 110492612
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
1-(4-chlorophenyl)-3-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17489943
1-(4-chlorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430473
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea
CID 110429557

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea (CID 41430449) is 1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea is Cn1ccnc1[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is LPHDFVUXGQIEHC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-24-10-9-21-17(24)16(12-5-7-13(19)8-6-12)23-18(25)22-15-4-2-3-14(20)11-15/h2-11,16H,1H3,(H2,22,23,25)/t16-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 375.26 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 41430449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).