1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea

C21H20N6O2 — CID 44535022

IUPAC1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C)nc3cccnc23)cc1Cn1ccnc1
InChIInChI=1S/C21H20N6O2/c1-14-10-18(20-17(24-14)4-3-7-23-20)26-21(28)25-16-5-6-19(29-2)15(11-16)12-27-9-8-22-13-27/h3-11,13H,12H2,1-2H3,(H2,24,25,26,28)
InChIKeyGHCDBNSFICNUGR-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.84
Rot. Bonds5

About 1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea

1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea (PubChem CID 44535022) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea.

Molecular Properties

Compound Name1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea
PubChem CID44535022
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C)nc3cccnc23)cc1Cn1ccnc1
InChIInChI=1S/C21H20N6O2/c1-14-10-18(20-17(24-14)4-3-7-23-20)26-21(28)25-16-5-6-19(29-2)15(11-16)12-27-9-8-22-13-27/h3-11,13H,12H2,1-2H3,(H2,24,25,26,28)
InChIKeyGHCDBNSFICNUGR-UHFFFAOYSA-N
XLogP3.84
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea?
The IUPAC name of 1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea (CID 44535022) is 1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea.
What is the SMILES notation for 1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea?
The canonical SMILES for 1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea is COc1ccc(NC(=O)Nc2cc(C)nc3cccnc23)cc1Cn1ccnc1.
What is the InChIKey of 1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea?
The InChIKey is GHCDBNSFICNUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-14-10-18(20-17(24-14)4-3-7-23-20)26-21(28)25-16-5-6-19(29-2)15(11-16)12-27-9-8-22-13-27/h3-11,13H,12H2,1-2H3,(H2,24,25,26,28).
What are the key properties of 1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea?
1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea has a molecular weight of 388.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]-3-(2-methyl-1,5-naphthyridin-4-yl)urea is sourced from PubChem (CID 44535022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).