1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea

C20H18N6O2 — CID 71791003

IUPAC1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea
SMILESCn1nnn(-c2ccc(NC(=O)NCc3cccc4ccccc34)cc2)c1=O
InChIInChI=1S/C20H18N6O2/c1-25-20(28)26(24-23-25)17-11-9-16(10-12-17)22-19(27)21-13-15-7-4-6-14-5-2-3-8-18(14)15/h2-12H,13H2,1H3,(H2,21,22,27)
InChIKeyIZJYVQRCXZRSNM-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.44
Rot. Bonds4

About 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea

1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea (PubChem CID 71791003) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea
PubChem CID71791003
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea
SMILESCn1nnn(-c2ccc(NC(=O)NCc3cccc4ccccc34)cc2)c1=O
InChIInChI=1S/C20H18N6O2/c1-25-20(28)26(24-23-25)17-11-9-16(10-12-17)22-19(27)21-13-15-7-4-6-14-5-2-3-8-18(14)15/h2-12H,13H2,1H3,(H2,21,22,27)
InChIKeyIZJYVQRCXZRSNM-UHFFFAOYSA-N
XLogP2.44
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 71791001
2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide
CID 71790973
1-(naphthalen-1-ylmethyl)-3-(4-nitrophenyl)urea
CID 112840095
1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea
CID 29183380
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea
CID 175700641
1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea
CID 30375844
2-(ethylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 55068383
2-naphthalen-1-yl-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]acetamide
CID 8747408
2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38175338
1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea
CID 90490062
1-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
CID 71793459

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea (CID 71791003) is 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea is Cn1nnn(-c2ccc(NC(=O)NCc3cccc4ccccc34)cc2)c1=O.
What is the InChIKey of 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is IZJYVQRCXZRSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-25-20(28)26(24-23-25)17-11-9-16(10-12-17)22-19(27)21-13-15-7-4-6-14-5-2-3-8-18(14)15/h2-12H,13H2,1H3,(H2,21,22,27).
What are the key properties of 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea?
1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 374.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 71791003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).