1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea

C20H18N6O — CID 18566004

IUPAC1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
SMILESO=C(NCc1cccc2ccccc12)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C20H18N6O/c27-20(21-13-16-9-6-8-15-7-4-5-12-18(15)16)22-14-19-23-24-25-26(19)17-10-2-1-3-11-17/h1-12H,13-14H2,(H2,21,22,27)
InChIKeyYDDLYXMWNZUYLQ-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.81
Rot. Bonds5

About 1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea

1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea (PubChem CID 18566004) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
PubChem CID18566004
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
SMILESO=C(NCc1cccc2ccccc12)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C20H18N6O/c27-20(21-13-16-9-6-8-15-7-4-5-12-18(15)16)22-14-19-23-24-25-26(19)17-10-2-1-3-11-17/h1-12H,13-14H2,(H2,21,22,27)
InChIKeyYDDLYXMWNZUYLQ-UHFFFAOYSA-N
XLogP2.81
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea (CID 18566004) is 1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea is O=C(NCc1cccc2ccccc12)NCc1nnnn1-c1ccccc1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
The InChIKey is YDDLYXMWNZUYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c27-20(21-13-16-9-6-8-15-7-4-5-12-18(15)16)22-14-19-23-24-25-26(19)17-10-2-1-3-11-17/h1-12H,13-14H2,(H2,21,22,27).
What are the key properties of 1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea has a molecular weight of 358.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea is sourced from PubChem (CID 18566004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).