4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide

C18H16ClN7O2 — CID 136528613

IUPAC4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)c1
InChIInChI=1S/C18H16ClN7O2/c1-11-22-23-24-26(11)14-4-2-3-13(10-14)21-17(27)12-5-6-15(19)16(9-12)25-8-7-20-18(25)28/h2-6,9-10H,7-8H2,1H3,(H,20,28)(H,21,27)
InChIKeyAIFKWRDBWMMCSC-UHFFFAOYSA-N
MW397.83 g/mol
LogP2.41
Rot. Bonds4

About 4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide

4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 136528613) has the molecular formula C18H16ClN7O2 and a molecular weight of 397.83 g/mol. Its IUPAC name is 4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID136528613
Molecular FormulaC18H16ClN7O2
Molecular Weight397.83 g/mol
Exact Mass397.11
IUPAC Name4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)c1
InChIInChI=1S/C18H16ClN7O2/c1-11-22-23-24-26(11)14-4-2-3-13(10-14)21-17(27)12-5-6-15(19)16(9-12)25-8-7-20-18(25)28/h2-6,9-10H,7-8H2,1H3,(H,20,28)(H,21,27)
InChIKeyAIFKWRDBWMMCSC-UHFFFAOYSA-N
XLogP2.41
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide
CID 131894718
3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 136576817
1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72875346
2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696743
1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one
CID 36914526
3,4-difluoro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 110874016
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55676403
N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71906365
4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55762438

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide (CID 136528613) is 4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide is Cc1nnnn1-c1cccc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)c1.
What is the InChIKey of 4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is AIFKWRDBWMMCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O2/c1-11-22-23-24-26(11)14-4-2-3-13(10-14)21-17(27)12-5-6-15(19)16(9-12)25-8-7-20-18(25)28/h2-6,9-10H,7-8H2,1H3,(H,20,28)(H,21,27).
What are the key properties of 4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 397.83 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 136528613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).