1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

C18H22N6O — CID 99711727

IUPAC1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCc1cc(C[C@H](C)NC(=O)Nc2cccc(-c3nccn3C)c2)n[nH]1
InChIInChI=1S/C18H22N6O/c1-12(9-16-10-13(2)22-23-16)20-18(25)21-15-6-4-5-14(11-15)17-19-7-8-24(17)3/h4-8,10-12H,9H2,1-3H3,(H,22,23)(H2,20,21,25)/t12-/m0/s1
InChIKeySFCZPNUCFFFGMJ-LBPRGKRZSA-N
MW338.42 g/mol
LogP2.87
Rot. Bonds5

About 1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (PubChem CID 99711727) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
PubChem CID99711727
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCc1cc(C[C@H](C)NC(=O)Nc2cccc(-c3nccn3C)c2)n[nH]1
InChIInChI=1S/C18H22N6O/c1-12(9-16-10-13(2)22-23-16)20-18(25)21-15-6-4-5-14(11-15)17-19-7-8-24(17)3/h4-8,10-12H,9H2,1-3H3,(H,22,23)(H2,20,21,25)/t12-/m0/s1
InChIKeySFCZPNUCFFFGMJ-LBPRGKRZSA-N
XLogP2.87
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 97069201
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N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide
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1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 86816676
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99581238
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
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1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The IUPAC name of 1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (CID 99711727) is 1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The canonical SMILES for 1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is Cc1cc(C[C@H](C)NC(=O)Nc2cccc(-c3nccn3C)c2)n[nH]1.
What is the InChIKey of 1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The InChIKey is SFCZPNUCFFFGMJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12(9-16-10-13(2)22-23-16)20-18(25)21-15-6-4-5-14(11-15)17-19-7-8-24(17)3/h4-8,10-12H,9H2,1-3H3,(H,22,23)(H2,20,21,25)/t12-/m0/s1.
What are the key properties of 1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea has a molecular weight of 338.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is sourced from PubChem (CID 99711727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).