1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea

C18H24N4O3 — CID 94030272

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCOc1ccccc1[C@@H](NC(=O)N(CCO)C1CC1)c1nccn1C
InChIInChI=1S/C18H24N4O3/c1-21-10-9-19-17(21)16(14-5-3-4-6-15(14)25-2)20-18(24)22(11-12-23)13-7-8-13/h3-6,9-10,13,16,23H,7-8,11-12H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyFONGBVISQAOOIX-MRXNPFEDSA-N
MW344.42 g/mol
LogP1.68
Rot. Bonds7

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea (PubChem CID 94030272) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
PubChem CID94030272
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCOc1ccccc1[C@@H](NC(=O)N(CCO)C1CC1)c1nccn1C
InChIInChI=1S/C18H24N4O3/c1-21-10-9-19-17(21)16(14-5-3-4-6-15(14)25-2)20-18(24)22(11-12-23)13-7-8-13/h3-6,9-10,13,16,23H,7-8,11-12H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyFONGBVISQAOOIX-MRXNPFEDSA-N
XLogP1.68
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea with MolForge

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Related Compounds

1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55793501
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597981
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 42923292
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(R)-(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 95806849
3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)urea
CID 86960417
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94092667
1-(4-methoxyphenyl)-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 95806841

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea (CID 94030272) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea is COc1ccccc1[C@@H](NC(=O)N(CCO)C1CC1)c1nccn1C.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is FONGBVISQAOOIX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21-10-9-19-17(21)16(14-5-3-4-6-15(14)25-2)20-18(24)22(11-12-23)13-7-8-13/h3-6,9-10,13,16,23H,7-8,11-12H2,1-2H3,(H,20,24)/t16-/m1/s1.
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 344.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 94030272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).