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

C19H18N8O — CID 15956485

IUPAC3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1Cc1nc2ccccc2n1CCCn1cnnn1
InChIInChI=1S/C19H18N8O/c28-19-22-15-7-2-4-9-17(15)27(19)12-18-21-14-6-1-3-8-16(14)26(18)11-5-10-25-13-20-23-24-25/h1-4,6-9,13H,5,10-12H2,(H,22,28)
InChIKeyLCDJEZJVODTJPC-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.80
Rot. Bonds6

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

3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one (PubChem CID 15956485) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
PubChem CID15956485
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1Cc1nc2ccccc2n1CCCn1cnnn1
InChIInChI=1S/C19H18N8O/c28-19-22-15-7-2-4-9-17(15)27(19)12-18-21-14-6-1-3-8-16(14)26(18)11-5-10-25-13-20-23-24-25/h1-4,6-9,13H,5,10-12H2,(H,22,28)
InChIKeyLCDJEZJVODTJPC-UHFFFAOYSA-N
XLogP1.80
TPSA99.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
CID 23551371
3-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropyl]-1H-benzimidazol-2-one
CID 16505838
3-[3-(3-chloro-5-methyl-1,2,4-triazol-1-yl)propyl]-1H-benzimidazol-2-one
CID 167874371
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one
CID 118152466
3-[3-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-one;oxalic acid
CID 19911476
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
3-(3-aminooxypropyl)-1H-benzimidazol-2-one
CID 106938634
3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one
CID 131937326
2-benzyl-1-hexadecylbenzimidazole
CID 4627397
3-[3-(5-iodo-6-oxopyrimidin-1-yl)propyl]-1H-benzimidazol-2-one
CID 66310567

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one (CID 15956485) is 3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1Cc1nc2ccccc2n1CCCn1cnnn1.
What is the InChIKey of 3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one?
The InChIKey is LCDJEZJVODTJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c28-19-22-15-7-2-4-9-17(15)27(19)12-18-21-14-6-1-3-8-16(14)26(18)11-5-10-25-13-20-23-24-25/h1-4,6-9,13H,5,10-12H2,(H,22,28).
What are the key properties of 3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one?
3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one has a molecular weight of 374.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 15956485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).