1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea

C21H25N5O — CID 166303754

IUPAC1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea
SMILESCc1cccc2nc(CNC(=O)Nc3ccc4c(c3)CN(C)CCC4)cn12
InChIInChI=1S/C21H25N5O/c1-15-5-3-7-20-23-19(14-26(15)20)12-22-21(27)24-18-9-8-16-6-4-10-25(2)13-17(16)11-18/h3,5,7-9,11,14H,4,6,10,12-13H2,1-2H3,(H2,22,24,27)
InChIKeyUZKVHECNJHWRAL-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.34
Rot. Bonds3

About 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea

1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea (PubChem CID 166303754) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea.

Molecular Properties

Compound Name1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea
PubChem CID166303754
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea
SMILESCc1cccc2nc(CNC(=O)Nc3ccc4c(c3)CN(C)CCC4)cn12
InChIInChI=1S/C21H25N5O/c1-15-5-3-7-20-23-19(14-26(15)20)12-22-21(27)24-18-9-8-16-6-4-10-25(2)13-17(16)11-18/h3,5,7-9,11,14H,4,6,10,12-13H2,1-2H3,(H2,22,24,27)
InChIKeyUZKVHECNJHWRAL-UHFFFAOYSA-N
XLogP3.34
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 86904726
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CID 119882818
4-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-1-sulfonamide
CID 131889625
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide
CID 139894614
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea
CID 138043967
1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111338547
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 95288811
1-(3-fluorophenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 54022788
3-hydroxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylbutanamide
CID 110025329
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 119882870
1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111455428
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111455429

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea?
The IUPAC name of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea (CID 166303754) is 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea.
What is the SMILES notation for 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea?
The canonical SMILES for 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea is Cc1cccc2nc(CNC(=O)Nc3ccc4c(c3)CN(C)CCC4)cn12.
What is the InChIKey of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea?
The InChIKey is UZKVHECNJHWRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-5-3-7-20-23-19(14-26(15)20)12-22-21(27)24-18-9-8-16-6-4-10-25(2)13-17(16)11-18/h3,5,7-9,11,14H,4,6,10,12-13H2,1-2H3,(H2,22,24,27).
What are the key properties of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea?
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea has a molecular weight of 363.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea is sourced from PubChem (CID 166303754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).