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

C20H22N4O2 — CID 38202343

IUPAC1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
SMILESCOc1ccccc1CNC(=O)N[C@@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C20H22N4O2/c1-24-13-12-21-19(24)18(15-8-4-3-5-9-15)23-20(25)22-14-16-10-6-7-11-17(16)26-2/h3-13,18H,14H2,1-2H3,(H2,22,23,25)/t18-/m0/s1
InChIKeyQVUUCULVKBLDER-SFHVURJKSA-N
MW350.42 g/mol
LogP3.02
Rot. Bonds6

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

1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea (PubChem CID 38202343) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
PubChem CID38202343
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
SMILESCOc1ccccc1CNC(=O)N[C@@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C20H22N4O2/c1-24-13-12-21-19(24)18(15-8-4-3-5-9-15)23-20(25)22-14-16-10-6-7-11-17(16)26-2/h3-13,18H,14H2,1-2H3,(H2,22,23,25)/t18-/m0/s1
InChIKeyQVUUCULVKBLDER-SFHVURJKSA-N
XLogP3.02
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38203555
1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 46596546
1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 51729053
3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 18102285
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25325158
1-(2-anilino-3-methylbutyl)-3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 78886445
1-[(2R)-2-hydroxypropyl]-3-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94027654
1-[2-(diethylamino)-2-phenylethyl]-3-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55738633
1-[(3,5-dimethoxyphenyl)methyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55910496
2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide
CID 55911891
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 42954354
2-(2-fluorophenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25367645

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea (CID 38202343) is 1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea is COc1ccccc1CNC(=O)N[C@@H](c1ccccc1)c1nccn1C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea?
The InChIKey is QVUUCULVKBLDER-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24-13-12-21-19(24)18(15-8-4-3-5-9-15)23-20(25)22-14-16-10-6-7-11-17(16)26-2/h3-13,18H,14H2,1-2H3,(H2,22,23,25)/t18-/m0/s1.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea?
1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea has a molecular weight of 350.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea is sourced from PubChem (CID 38202343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).