1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea

C20H24N6O2 — CID 124741341

IUPAC1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(C[C@@H](CO)CNC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1
InChIInChI=1S/C20H24N6O2/c1-14-3-6-16(7-4-14)9-17(12-27)11-21-20(28)23-19-10-18(8-5-15(19)2)26-13-22-24-25-26/h3-8,10,13,17,27H,9,11-12H2,1-2H3,(H2,21,23,28)/t17-/m1/s1
InChIKeyWEIDDKNQFQXFGD-QGZVFWFLSA-N
MW380.45 g/mol
LogP2.25
Rot. Bonds7

About 1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea

1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea (PubChem CID 124741341) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
PubChem CID124741341
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(C[C@@H](CO)CNC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1
InChIInChI=1S/C20H24N6O2/c1-14-3-6-16(7-4-14)9-17(12-27)11-21-20(28)23-19-10-18(8-5-15(19)2)26-13-22-24-25-26/h3-8,10,13,17,27H,9,11-12H2,1-2H3,(H2,21,23,28)/t17-/m1/s1
InChIKeyWEIDDKNQFQXFGD-QGZVFWFLSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 124847631
1-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 119045396
1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 47039527
1-(2-benzyl-3-hydroxy-2-methylpropyl)-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 119047495
2-(1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-phenylpropanamide
CID 55780672
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
(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 94001278
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea (CID 124741341) is 1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea is Cc1ccc(C[C@@H](CO)CNC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1.
What is the InChIKey of 1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea?
The InChIKey is WEIDDKNQFQXFGD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-3-6-16(7-4-14)9-17(12-27)11-21-20(28)23-19-10-18(8-5-15(19)2)26-13-22-24-25-26/h3-8,10,13,17,27H,9,11-12H2,1-2H3,(H2,21,23,28)/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea?
1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea has a molecular weight of 380.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 124741341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).