1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea

C16H15ClN6O — CID 110492612

IUPAC1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea
SMILESCn1ccnc1C(NC(=O)Nc1cnccn1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN6O/c1-23-8-7-20-15(23)14(11-3-2-4-12(17)9-11)22-16(24)21-13-10-18-5-6-19-13/h2-10,14H,1H3,(H2,19,21,22,24)
InChIKeyOMXSJNKHCAEBIM-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.77
Rot. Bonds4

About 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea

1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea (PubChem CID 110492612) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea
PubChem CID110492612
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea
SMILESCn1ccnc1C(NC(=O)Nc1cnccn1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN6O/c1-23-8-7-20-15(23)14(11-3-2-4-12(17)9-11)22-16(24)21-13-10-18-5-6-19-13/h2-10,14H,1H3,(H2,19,21,22,24)
InChIKeyOMXSJNKHCAEBIM-UHFFFAOYSA-N
XLogP2.77
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41036758
1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430449
1-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-pyridin-3-ylurea
CID 41022660
1-[2-(3-chlorophenyl)ethyl]-3-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36524692
1-(3-chlorophenyl)-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17492515
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383
2,4-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269170
1-[2-(4-chlorophenoxy)ethyl]-3-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36506060
1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea
CID 110473515
2-(3-chlorophenyl)-2-(dimethylamino)-N-pyrazin-2-ylacetamide
CID 167941660
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea?
The IUPAC name of 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea (CID 110492612) is 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea?
The canonical SMILES for 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea is Cn1ccnc1C(NC(=O)Nc1cnccn1)c1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea?
The InChIKey is OMXSJNKHCAEBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c1-23-8-7-20-15(23)14(11-3-2-4-12(17)9-11)22-16(24)21-13-10-18-5-6-19-13/h2-10,14H,1H3,(H2,19,21,22,24).
What are the key properties of 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea?
1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea has a molecular weight of 342.79 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazin-2-ylurea is sourced from PubChem (CID 110492612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).