1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one

C21H22N8O — CID 23551367

IUPAC1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
SMILESCC(C)n1c(=O)n(Cc2nc3ccccc3n2CCc2nn[nH]n2)c2ccccc21
InChIInChI=1S/C21H22N8O/c1-14(2)29-18-10-6-5-9-17(18)28(21(29)30)13-20-22-15-7-3-4-8-16(15)27(20)12-11-19-23-25-26-24-19/h3-10,14H,11-13H2,1-2H3,(H,23,24,25,26)
InChIKeyAZLAPGYWIDCGTI-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.54
Rot. Bonds6

About 1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one

1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one (PubChem CID 23551367) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
PubChem CID23551367
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
SMILESCC(C)n1c(=O)n(Cc2nc3ccccc3n2CCc2nn[nH]n2)c2ccccc21
InChIInChI=1S/C21H22N8O/c1-14(2)29-18-10-6-5-9-17(18)28(21(29)30)13-20-22-15-7-3-4-8-16(15)27(20)12-11-19-23-25-26-24-19/h3-10,14H,11-13H2,1-2H3,(H,23,24,25,26)
InChIKeyAZLAPGYWIDCGTI-UHFFFAOYSA-N
XLogP2.54
TPSA99.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methyl-ethanamine
CID 5272001
1-[(1-Isopentylbenzimidazol-2-yl)methyl]benzotriazole
CID 5272007
1-[(1-Isohexylbenzimidazol-2-yl)methyl]benzotriazole
CID 5272009
1-[(1-Butylbenzimidazol-2-yl)methyl]benzotriazole
CID 5272010

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one?
The IUPAC name of 1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one (CID 23551367) is 1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one.
What is the SMILES notation for 1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one?
The canonical SMILES for 1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one is CC(C)n1c(=O)n(Cc2nc3ccccc3n2CCc2nn[nH]n2)c2ccccc21.
What is the InChIKey of 1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one?
The InChIKey is AZLAPGYWIDCGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-14(2)29-18-10-6-5-9-17(18)28(21(29)30)13-20-22-15-7-3-4-8-16(15)27(20)12-11-19-23-25-26-24-19/h3-10,14H,11-13H2,1-2H3,(H,23,24,25,26).
What are the key properties of 1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one?
1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one has a molecular weight of 402.46 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one is sourced from PubChem (CID 23551367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).