1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea

C18H24N4O3 — CID 94026862

IUPAC1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCOc1ccc([C@H](NC(=O)NC[C@@H]2CCCO2)c2nccn2C)cc1
InChIInChI=1S/C18H24N4O3/c1-22-10-9-19-17(22)16(13-5-7-14(24-2)8-6-13)21-18(23)20-12-15-4-3-11-25-15/h5-10,15-16H,3-4,11-12H2,1-2H3,(H2,20,21,23)/t15-,16-/m0/s1
InChIKeyHPDMAVDTXBZAHX-HOTGVXAUSA-N
MW344.42 g/mol
LogP2.00
Rot. Bonds6

About 1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea

1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 94026862) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID94026862
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCOc1ccc([C@H](NC(=O)NC[C@@H]2CCCO2)c2nccn2C)cc1
InChIInChI=1S/C18H24N4O3/c1-22-10-9-19-17(22)16(13-5-7-14(24-2)8-6-13)21-18(23)20-12-15-4-3-11-25-15/h5-10,15-16H,3-4,11-12H2,1-2H3,(H2,20,21,23)/t15-,16-/m0/s1
InChIKeyHPDMAVDTXBZAHX-HOTGVXAUSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

(2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 39508060
1-[(2R)-2-hydroxypropyl]-3-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94027654
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25346365
1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea
CID 53499198
1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55923362
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 78886445
N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94092667
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 25389534
1-(3,4-dichlorophenyl)-3-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25325163
1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(oxolan-2-ylmethyl)urea
CID 45106429

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea (CID 94026862) is 1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea is COc1ccc([C@H](NC(=O)NC[C@@H]2CCCO2)c2nccn2C)cc1.
What is the InChIKey of 1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is HPDMAVDTXBZAHX-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-22-10-9-19-17(22)16(13-5-7-14(24-2)8-6-13)21-18(23)20-12-15-4-3-11-25-15/h5-10,15-16H,3-4,11-12H2,1-2H3,(H2,20,21,23)/t15-,16-/m0/s1.
What are the key properties of 1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 344.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 94026862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).