3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide

C18H17N7O2 — CID 155946246

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c2ccccc21
InChIInChI=1S/C18H17N7O2/c1-24-14-7-2-3-8-15(14)25(18(24)27)10-9-16(26)19-13-6-4-5-12(11-13)17-20-22-23-21-17/h2-8,11H,9-10H2,1H3,(H,19,26)(H,20,21,22,23)
InChIKeyHAADAMODWPUSGT-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.55
Rot. Bonds5

About 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 155946246) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID155946246
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c2ccccc21
InChIInChI=1S/C18H17N7O2/c1-24-14-7-2-3-8-15(14)25(18(24)27)10-9-16(26)19-13-6-4-5-12(11-13)17-20-22-23-21-17/h2-8,11H,9-10H2,1H3,(H,19,26)(H,20,21,22,23)
InChIKeyHAADAMODWPUSGT-UHFFFAOYSA-N
XLogP1.55
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide
CID 18139030
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 110720294
3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 60852912
1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide
CID 166357923
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 9324140
2-(1-hydroxycyclopentyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 111536432

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (CID 155946246) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is Cn1c(=O)n(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c2ccccc21.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is HAADAMODWPUSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-24-14-7-2-3-8-15(14)25(18(24)27)10-9-16(26)19-13-6-4-5-12(11-13)17-20-22-23-21-17/h2-8,11H,9-10H2,1H3,(H,19,26)(H,20,21,22,23).
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 363.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 155946246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).