1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

C14H18N8O2 — CID 72875346

IUPAC1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESCc1nnnn1-c1cccc(NC(=O)NCCN2CCNC2=O)c1
InChIInChI=1S/C14H18N8O2/c1-10-18-19-20-22(10)12-4-2-3-11(9-12)17-13(23)15-5-7-21-8-6-16-14(21)24/h2-4,9H,5-8H2,1H3,(H,16,24)(H2,15,17,23)
InChIKeyOYIGCLYASWOWGQ-UHFFFAOYSA-N
MW330.35 g/mol
LogP0.12
Rot. Bonds5

About 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea (PubChem CID 72875346) has the molecular formula C14H18N8O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
PubChem CID72875346
Molecular FormulaC14H18N8O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESCc1nnnn1-c1cccc(NC(=O)NCCN2CCNC2=O)c1
InChIInChI=1S/C14H18N8O2/c1-10-18-19-20-22(10)12-4-2-3-11(9-12)17-13(23)15-5-7-21-8-6-16-14(21)24/h2-4,9H,5-8H2,1H3,(H,16,24)(H2,15,17,23)
InChIKeyOYIGCLYASWOWGQ-UHFFFAOYSA-N
XLogP0.12
TPSA117.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[8-(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-3-phenyl-urea
CID 648721
3-[1-[1-(1-tert-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360393
{1-[3-(5-Dimethylaminomethyl-tetrazol-1-yl)-phenyl]-1H-tetrazol-5-ylmethyl}-dimethyl-amine
CID 3620004
3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360383
1-[1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-3-phenyl-urea
CID 647359
1-[1-[(1-Tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 1445081
1-(tert-butyl)-3-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)urea
CID 18566072
1-(2-chloroethyl)-3-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)urea
CID 18566108
(Z)-N-((1-phenyl-1H-tetrazol-5-yl)methyl)but-2-enamide
CID 18565655
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692562
N-((1-phenyl-1H-tetrazol-5-yl)methyl)acetamide
CID 44007454
2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-[(1-phenyl-1H-tetrazol-5-yl)methyl]acetamide
CID 70764832

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The IUPAC name of 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea (CID 72875346) is 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea is Cc1nnnn1-c1cccc(NC(=O)NCCN2CCNC2=O)c1.
What is the InChIKey of 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The InChIKey is OYIGCLYASWOWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O2/c1-10-18-19-20-22(10)12-4-2-3-11(9-12)17-13(23)15-5-7-21-8-6-16-14(21)24/h2-4,9H,5-8H2,1H3,(H,16,24)(H2,15,17,23).
What are the key properties of 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea has a molecular weight of 330.35 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea is sourced from PubChem (CID 72875346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).