1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea

C18H27N5O2 — CID 95135852

IUPAC1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
SMILESCOc1cccc([C@H](CNC(=O)N[C@H](C)Cn2ccnc2)N(C)C)c1
InChIInChI=1S/C18H27N5O2/c1-14(12-23-9-8-19-13-23)21-18(24)20-11-17(22(2)3)15-6-5-7-16(10-15)25-4/h5-10,13-14,17H,11-12H2,1-4H3,(H2,20,21,24)/t14-,17+/m1/s1
InChIKeyVYHZTZKHCGHQGB-PBHICJAKSA-N
MW345.45 g/mol
LogP1.88
Rot. Bonds8

About 1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea

1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea (PubChem CID 95135852) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
PubChem CID95135852
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
SMILESCOc1cccc([C@H](CNC(=O)N[C@H](C)Cn2ccnc2)N(C)C)c1
InChIInChI=1S/C18H27N5O2/c1-14(12-23-9-8-19-13-23)21-18(24)20-11-17(22(2)3)15-6-5-7-16(10-15)25-4/h5-10,13-14,17H,11-12H2,1-4H3,(H2,20,21,24)/t14-,17+/m1/s1
InChIKeyVYHZTZKHCGHQGB-PBHICJAKSA-N
XLogP1.88
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94871793
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94179657
2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol
CID 81133447
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CID 43445772
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 24528863
1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea
CID 124569034
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79203822
2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea (CID 95135852) is 1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea is COc1cccc([C@H](CNC(=O)N[C@H](C)Cn2ccnc2)N(C)C)c1.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The InChIKey is VYHZTZKHCGHQGB-PBHICJAKSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14(12-23-9-8-19-13-23)21-18(24)20-11-17(22(2)3)15-6-5-7-16(10-15)25-4/h5-10,13-14,17H,11-12H2,1-4H3,(H2,20,21,24)/t14-,17+/m1/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea has a molecular weight of 345.45 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 95135852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).