1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea

C19H26N4O2 — CID 136588157

IUPAC1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESCOc1ccc([C@@H](C)NC(=O)NCc2cn3c(n2)CCCC3)cc1C
InChIInChI=1S/C19H26N4O2/c1-13-10-15(7-8-17(13)25-3)14(2)21-19(24)20-11-16-12-23-9-5-4-6-18(23)22-16/h7-8,10,12,14H,4-6,9,11H2,1-3H3,(H2,20,21,24)/t14-/m1/s1
InChIKeyQTTQNKIXAOSGLA-CQSZACIVSA-N
MW342.44 g/mol
LogP3.10
Rot. Bonds5

About 1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea

1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea (PubChem CID 136588157) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
PubChem CID136588157
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESCOc1ccc([C@@H](C)NC(=O)NCc2cn3c(n2)CCCC3)cc1C
InChIInChI=1S/C19H26N4O2/c1-13-10-15(7-8-17(13)25-3)14(2)21-19(24)20-11-16-12-23-9-5-4-6-18(23)22-16/h7-8,10,12,14H,4-6,9,11H2,1-3H3,(H2,20,21,24)/t14-/m1/s1
InChIKeyQTTQNKIXAOSGLA-CQSZACIVSA-N
XLogP3.10
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 108868153
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CID 49483368
1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 97251637
4-[[1-(3,4-dimethylphenyl)ethylcarbamoylamino]methyl]benzoic acid
CID 122017519
1-[1-(4-tert-butylphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 60541277
N-[1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 134369717
1-[1-(3,4-difluorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51274117
N-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838020
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51084955
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 60570260
(6S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 99853522
2-(3-methylcyclohexyl)oxy-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]propanamide
CID 56791501

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea (CID 136588157) is 1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea is COc1ccc([C@@H](C)NC(=O)NCc2cn3c(n2)CCCC3)cc1C.
What is the InChIKey of 1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
The InChIKey is QTTQNKIXAOSGLA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-10-15(7-8-17(13)25-3)14(2)21-19(24)20-11-16-12-23-9-5-4-6-18(23)22-16/h7-8,10,12,14H,4-6,9,11H2,1-3H3,(H2,20,21,24)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea has a molecular weight of 342.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methoxy-3-methylphenyl)ethyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea is sourced from PubChem (CID 136588157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).