1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea

C17H17ClN6O — CID 55698785

IUPAC1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
SMILESCN(Cc1ccccc1Cl)C(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C17H17ClN6O/c1-23(11-13-6-3-4-9-15(13)18)17(25)19-14-8-5-7-12(10-14)16-20-21-22-24(16)2/h3-10H,11H2,1-2H3,(H,19,25)
InChIKeyBWMITPQIMXAAQV-UHFFFAOYSA-N
MW356.82 g/mol
LogP3.19
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea

1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea (PubChem CID 55698785) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
PubChem CID55698785
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC Name1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
SMILESCN(Cc1ccccc1Cl)C(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C17H17ClN6O/c1-23(11-13-6-3-4-9-15(13)18)17(25)19-14-8-5-7-12(10-14)16-20-21-22-24(16)2/h3-10H,11H2,1-2H3,(H,19,25)
InChIKeyBWMITPQIMXAAQV-UHFFFAOYSA-N
XLogP3.19
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CID 55698907
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 26122764
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 51317920
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea
CID 27868402
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 51304309
(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 103831156
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 60853677
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
CID 30414133
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea (CID 55698785) is 1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea is CN(Cc1ccccc1Cl)C(=O)Nc1cccc(-c2nnnn2C)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea?
The InChIKey is BWMITPQIMXAAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c1-23(11-13-6-3-4-9-15(13)18)17(25)19-14-8-5-7-12(10-14)16-20-21-22-24(16)2/h3-10H,11H2,1-2H3,(H,19,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea?
1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea has a molecular weight of 356.82 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea is sourced from PubChem (CID 55698785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).