1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea

C20H24N6O2 — CID 119047495

IUPAC1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)NCC(C)(CO)Cc1ccccc1
InChIInChI=1S/C20H24N6O2/c1-15-8-9-17(26-14-22-24-25-26)10-18(15)23-19(28)21-12-20(2,13-27)11-16-6-4-3-5-7-16/h3-10,14,27H,11-13H2,1-2H3,(H2,21,23,28)
InChIKeyRAEVDCGAKWSSMB-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.33
Rot. Bonds7

About 1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea

1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea (PubChem CID 119047495) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
PubChem CID119047495
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)NCC(C)(CO)Cc1ccccc1
InChIInChI=1S/C20H24N6O2/c1-15-8-9-17(26-14-22-24-25-26)10-18(15)23-19(28)21-12-20(2,13-27)11-16-6-4-3-5-7-16/h3-10,14,27H,11-13H2,1-2H3,(H2,21,23,28)
InChIKeyRAEVDCGAKWSSMB-UHFFFAOYSA-N
XLogP2.33
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 124741341
4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 47039545
2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide
CID 55780672
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 47039527
3-amino-4-[2-methyl-5-(tetrazol-1-yl)anilino]-4-oxobutanoic acid
CID 64895694
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
4-tert-butyl-N-[3-[2-methyl-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55780761
1-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 124847631

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea (CID 119047495) is 1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea is Cc1ccc(-n2cnnn2)cc1NC(=O)NCC(C)(CO)Cc1ccccc1.
What is the InChIKey of 1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea?
The InChIKey is RAEVDCGAKWSSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-15-8-9-17(26-14-22-24-25-26)10-18(15)23-19(28)21-12-20(2,13-27)11-16-6-4-3-5-7-16/h3-10,14,27H,11-13H2,1-2H3,(H2,21,23,28).
What are the key properties of 1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea?
1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea has a molecular weight of 380.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 119047495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).