3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea

C22H28N4O2 — CID 126435143

IUPAC3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea
SMILESCOc1ccc2cc([C@@H](C)NC(=O)N(C)CCCc3nccn3C)ccc2c1
InChIInChI=1S/C22H28N4O2/c1-16(17-7-8-19-15-20(28-4)10-9-18(19)14-17)24-22(27)26(3)12-5-6-21-23-11-13-25(21)2/h7-11,13-16H,5-6,12H2,1-4H3,(H,24,27)/t16-/m1/s1
InChIKeyLWQCQPVINRLZJW-MRXNPFEDSA-N
MW380.49 g/mol
LogP3.92
Rot. Bonds7

About 3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea

3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea (PubChem CID 126435143) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea.

Molecular Properties

Compound Name3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea
PubChem CID126435143
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea
SMILESCOc1ccc2cc([C@@H](C)NC(=O)N(C)CCCc3nccn3C)ccc2c1
InChIInChI=1S/C22H28N4O2/c1-16(17-7-8-19-15-20(28-4)10-9-18(19)14-17)24-22(27)26(3)12-5-6-21-23-11-13-25(21)2/h7-11,13-16H,5-6,12H2,1-4H3,(H,24,27)/t16-/m1/s1
InChIKeyLWQCQPVINRLZJW-MRXNPFEDSA-N
XLogP3.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-ethoxyphenyl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 122564217
3-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 125444689
1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214144
3-(3-fluoro-5-methylphenyl)-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea
CID 118794217
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
2-(ethylamino)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pyrimidine-5-carboxamide
CID 74250280
1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-(4-propan-2-ylphenyl)ethyl]urea
CID 126447567
3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 66195659
2-hydroxy-5-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717793
1-(3,4-dimethoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]cyclopentane-1-carboxamide
CID 119058740
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 47007435

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea?
The IUPAC name of 3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea (CID 126435143) is 3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea.
What is the SMILES notation for 3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea?
The canonical SMILES for 3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea is COc1ccc2cc([C@@H](C)NC(=O)N(C)CCCc3nccn3C)ccc2c1.
What is the InChIKey of 3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea?
The InChIKey is LWQCQPVINRLZJW-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16(17-7-8-19-15-20(28-4)10-9-18(19)14-17)24-22(27)26(3)12-5-6-21-23-11-13-25(21)2/h7-11,13-16H,5-6,12H2,1-4H3,(H,24,27)/t16-/m1/s1.
What are the key properties of 3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea?
3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea has a molecular weight of 380.49 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea is sourced from PubChem (CID 126435143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).