4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide

C18H17N7O2 — CID 131901999

IUPAC4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H17N7O2/c1-11-22-23-24-25(11)10-12-2-5-14(6-3-12)17(26)19-9-13-4-7-15-16(8-13)21-18(27)20-15/h2-8H,9-10H2,1H3,(H,19,26)(H2,20,21,27)
InChIKeyCCRGBEQILKGOTJ-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.13
Rot. Bonds5

About 4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide

4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide (PubChem CID 131901999) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
PubChem CID131901999
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H17N7O2/c1-11-22-23-24-25(11)10-12-2-5-14(6-3-12)17(26)19-9-13-4-7-15-16(8-13)21-18(27)20-15/h2-8H,9-10H2,1H3,(H,19,26)(H2,20,21,27)
InChIKeyCCRGBEQILKGOTJ-UHFFFAOYSA-N
XLogP1.13
TPSA121.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785256
4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 119062894
4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75454611
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 119071922
ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate
CID 90642861
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 75477078
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 166185552
N-(3H-benzimidazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 131889815
2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 131914508
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791167
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 48986640

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide?
The IUPAC name of 4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide (CID 131901999) is 4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide is Cc1nnnn1Cc1ccc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide?
The InChIKey is CCRGBEQILKGOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-11-22-23-24-25(11)10-12-2-5-14(6-3-12)17(26)19-9-13-4-7-15-16(8-13)21-18(27)20-15/h2-8H,9-10H2,1H3,(H,19,26)(H2,20,21,27).
What are the key properties of 4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide?
4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide has a molecular weight of 363.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide is sourced from PubChem (CID 131901999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).