1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one

C22H22N8O — CID 23551363

IUPAC1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
SMILESC=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCCc2nn[nH]n2)c2ccccc21
InChIInChI=1S/C22H22N8O/c1-15(2)30-19-11-6-5-10-18(19)29(22(30)31)14-21-23-16-8-3-4-9-17(16)28(21)13-7-12-20-24-26-27-25-20/h3-6,8-11H,1,7,12-14H2,2H3,(H,24,25,26,27)
InChIKeyUJGDDFOFMQRBEG-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.84
Rot. Bonds7

About 1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one

1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one (PubChem CID 23551363) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
PubChem CID23551363
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
SMILESC=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCCc2nn[nH]n2)c2ccccc21
InChIInChI=1S/C22H22N8O/c1-15(2)30-19-11-6-5-10-18(19)29(22(30)31)14-21-23-16-8-3-4-9-17(16)28(21)13-7-12-20-24-26-27-25-20/h3-6,8-11H,1,7,12-14H2,2H3,(H,24,25,26,27)
InChIKeyUJGDDFOFMQRBEG-UHFFFAOYSA-N
XLogP2.84
TPSA99.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-butyl-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole
CID 4286584
ST50165328
CID 333947
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone
CID 138857397
3-(1,2-Dimethylbenzimidazol-5-yl)-1-phenyl-1-prop-2-enylurea
CID 893311
4-(2-methylbenzimidazol-1-yl)-N-phenylpiperidine-1-carboxamide
CID 1462279
N-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 6456939
1-methyl-2-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1H-benzimidazole
CID 711808
1-(1-phenyl-1H-tetrazol-5-yl)-1H-benzimidazole
CID 712744
1-methyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-2-amine
CID 715184
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethyl-ethanamine
CID 5271993
1-[[1-(2-Pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5271996
1-[[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzimidazol-2-yl]methyl]benzotriazole
CID 5271999

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one?
The IUPAC name of 1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one (CID 23551363) is 1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one.
What is the SMILES notation for 1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one?
The canonical SMILES for 1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one is C=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCCc2nn[nH]n2)c2ccccc21.
What is the InChIKey of 1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one?
The InChIKey is UJGDDFOFMQRBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-15(2)30-19-11-6-5-10-18(19)29(22(30)31)14-21-23-16-8-3-4-9-17(16)28(21)13-7-12-20-24-26-27-25-20/h3-6,8-11H,1,7,12-14H2,2H3,(H,24,25,26,27).
What are the key properties of 1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one?
1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one has a molecular weight of 414.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one is sourced from PubChem (CID 23551363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).