1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea

C22H21N7O2 — CID 47050392

IUPAC1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
SMILESCc1nccn1-c1cc(CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)ccn1
InChIInChI=1S/C22H21N7O2/c1-16-23-9-11-29(16)20-13-17(6-8-24-20)14-26-21(30)27-19-5-2-4-18(12-19)15-28-10-3-7-25-22(28)31/h2-13H,14-15H2,1H3,(H2,26,27,30)
InChIKeyZPTQYZDKSGYVQU-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.50
Rot. Bonds6

About 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea

1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea (PubChem CID 47050392) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
PubChem CID47050392
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
SMILESCc1nccn1-c1cc(CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)ccn1
InChIInChI=1S/C22H21N7O2/c1-16-23-9-11-29(16)20-13-17(6-8-24-20)14-26-21(30)27-19-5-2-4-18(12-19)15-28-10-3-7-25-22(28)31/h2-13H,14-15H2,1H3,(H2,26,27,30)
InChIKeyZPTQYZDKSGYVQU-UHFFFAOYSA-N
XLogP2.50
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 47050365
1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 47040627
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 47050389
tert-butyl N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylcarbamoyl]phenyl]carbamate
CID 47036415
1-(2-benzylsulfonylethyl)-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 47050413
1-(4-bromo-3-methylphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 55696253
1-(3-chloro-4-ethoxyphenyl)-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 87009940
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 51118978
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide
CID 94122258
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea
CID 47038251
1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55808706

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea (CID 47050392) is 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea is Cc1nccn1-c1cc(CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)ccn1.
What is the InChIKey of 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea?
The InChIKey is ZPTQYZDKSGYVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-16-23-9-11-29(16)20-13-17(6-8-24-20)14-26-21(30)27-19-5-2-4-18(12-19)15-28-10-3-7-25-22(28)31/h2-13H,14-15H2,1H3,(H2,26,27,30).
What are the key properties of 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea?
1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea has a molecular weight of 415.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 47050392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).