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

C18H16ClFN4O — CID 41036758

IUPAC1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCn1ccnc1[C@H](NC(=O)Nc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C18H16ClFN4O/c1-24-9-8-21-17(24)16(12-4-2-6-14(20)10-12)23-18(25)22-15-7-3-5-13(19)11-15/h2-11,16H,1H3,(H2,22,23,25)/t16-/m1/s1
InChIKeyLEQOKFQKCNRFDS-MRXNPFEDSA-N
MW358.80 g/mol
LogP4.12
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea (PubChem CID 41036758) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
PubChem CID41036758
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC Name1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCn1ccnc1[C@H](NC(=O)Nc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C18H16ClFN4O/c1-24-9-8-21-17(24)16(12-4-2-6-14(20)10-12)23-18(25)22-15-7-3-5-13(19)11-15/h2-11,16H,1H3,(H2,22,23,25)/t16-/m1/s1
InChIKeyLEQOKFQKCNRFDS-MRXNPFEDSA-N
XLogP4.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
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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
(E)-3-(3-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
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1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
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4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide
CID 55685694
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CID 110492612
(E)-3-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 24529708
2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953006
1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea (CID 41036758) is 1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea is Cn1ccnc1[C@H](NC(=O)Nc1cccc(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is LEQOKFQKCNRFDS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c1-24-9-8-21-17(24)16(12-4-2-6-14(20)10-12)23-18(25)22-15-7-3-5-13(19)11-15/h2-11,16H,1H3,(H2,22,23,25)/t16-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 358.80 g/mol, XLogP of 4.12, 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)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 41036758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).