1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea

C18H24N4O3 — CID 53499198

IUPAC1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea
SMILESCOc1cccc(C(NC(=O)NCC2CCOC2)c2nccn2C)c1
InChIInChI=1S/C18H24N4O3/c1-22-8-7-19-17(22)16(14-4-3-5-15(10-14)24-2)21-18(23)20-11-13-6-9-25-12-13/h3-5,7-8,10,13,16H,6,9,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyNTOWCCSHCREUOE-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.85
Rot. Bonds6

About 1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea

1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea (PubChem CID 53499198) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea
PubChem CID53499198
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea
SMILESCOc1cccc(C(NC(=O)NCC2CCOC2)c2nccn2C)c1
InChIInChI=1S/C18H24N4O3/c1-22-8-7-19-17(22)16(14-4-3-5-15(10-14)24-2)21-18(23)20-11-13-6-9-25-12-13/h3-5,7-8,10,13,16H,6,9,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyNTOWCCSHCREUOE-UHFFFAOYSA-N
XLogP1.85
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95127820
1-[3-(cyclohexylamino)propyl]-3-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55770196
(3R)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylmorpholine-4-carboxamide
CID 95124296
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 35662197
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652
1-[2-(diethylamino)-2-phenylethyl]-3-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55738633
1-[2-(3-chlorophenyl)ethyl]-3-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36524692
1-[2-(4-chlorophenoxy)ethyl]-3-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36506060
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylcyclopropane-1-carboxamide
CID 51269204
N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55533026

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea (CID 53499198) is 1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea is COc1cccc(C(NC(=O)NCC2CCOC2)c2nccn2C)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea?
The InChIKey is NTOWCCSHCREUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-22-8-7-19-17(22)16(14-4-3-5-15(10-14)24-2)21-18(23)20-11-13-6-9-25-12-13/h3-5,7-8,10,13,16H,6,9,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea?
1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea has a molecular weight of 344.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 53499198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).