1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea

C18H27N5O2 — CID 125436502

IUPAC1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESC[C@H](CNC(=O)N(CCO)Cc1nccn1C)N(C)c1ccccc1
InChIInChI=1S/C18H27N5O2/c1-15(22(3)16-7-5-4-6-8-16)13-20-18(25)23(11-12-24)14-17-19-9-10-21(17)2/h4-10,15,24H,11-14H2,1-3H3,(H,20,25)/t15-/m1/s1
InChIKeyICOYYJLZHGWYHW-OAHLLOKOSA-N
MW345.45 g/mol
LogP1.45
Rot. Bonds8

About 1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea

1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 125436502) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID125436502
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESC[C@H](CNC(=O)N(CCO)Cc1nccn1C)N(C)c1ccccc1
InChIInChI=1S/C18H27N5O2/c1-15(22(3)16-7-5-4-6-8-16)13-20-18(25)23(11-12-24)14-17-19-9-10-21(17)2/h4-10,15,24H,11-14H2,1-3H3,(H,20,25)/t15-/m1/s1
InChIKeyICOYYJLZHGWYHW-OAHLLOKOSA-N
XLogP1.45
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-(4-propan-2-ylphenyl)ethyl]urea
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3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea
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1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea
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1-[2-(N-methylanilino)propyl]-3-[4-(1-methylimidazole-2-carbonyl)phenyl]urea
CID 51115577
1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide
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1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea
CID 118786473
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-1-pyridin-3-ylpropyl)-1-propylurea
CID 122563927
1-[(1-methylimidazol-2-yl)methyl]-3-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-1-propylurea
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formic acid;N-(2-hydroxyethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea (CID 125436502) is 1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea is C[C@H](CNC(=O)N(CCO)Cc1nccn1C)N(C)c1ccccc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is ICOYYJLZHGWYHW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-15(22(3)16-7-5-4-6-8-16)13-20-18(25)23(11-12-24)14-17-19-9-10-21(17)2/h4-10,15,24H,11-14H2,1-3H3,(H,20,25)/t15-/m1/s1.
What are the key properties of 1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea?
1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 345.45 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 125436502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).