5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide

C22H24BrN7O — CID 118985913

IUPAC5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
SMILESCC(C)C(NC(=O)c1cc(Br)ccc1-n1cnnn1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C22H24BrN7O/c1-13(2)20(21-25-17-7-5-6-8-19(17)30(21)14(3)4)26-22(31)16-11-15(23)9-10-18(16)29-12-24-27-28-29/h5-14,20H,1-4H3,(H,26,31)
InChIKeyQGHSJCWSZQBIHJ-UHFFFAOYSA-N
MW482.39 g/mol
LogP4.48
Rot. Bonds6

About 5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide

5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 118985913) has the molecular formula C22H24BrN7O and a molecular weight of 482.39 g/mol. Its IUPAC name is 5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
PubChem CID118985913
Molecular FormulaC22H24BrN7O
Molecular Weight482.39 g/mol
Exact Mass481.12
IUPAC Name5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
SMILESCC(C)C(NC(=O)c1cc(Br)ccc1-n1cnnn1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C22H24BrN7O/c1-13(2)20(21-25-17-7-5-6-8-19(17)30(21)14(3)4)26-22(31)16-11-15(23)9-10-18(16)29-12-24-27-28-29/h5-14,20H,1-4H3,(H,26,31)
InChIKeyQGHSJCWSZQBIHJ-UHFFFAOYSA-N
XLogP4.48
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
CID 124847783
5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide
CID 91640650
methyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 45370251
N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide
CID 29135709
4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 128962606
N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 124862197
ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29139681
5-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 55668878
N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 91821558
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572
methyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]-2-[4-(2,2-difluoroethoxy)phenyl]acetate
CID 166320683

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide (CID 118985913) is 5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide is CC(C)C(NC(=O)c1cc(Br)ccc1-n1cnnn1)c1nc2ccccc2n1C(C)C.
What is the InChIKey of 5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is QGHSJCWSZQBIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN7O/c1-13(2)20(21-25-17-7-5-6-8-19(17)30(21)14(3)4)26-22(31)16-11-15(23)9-10-18(16)29-12-24-27-28-29/h5-14,20H,1-4H3,(H,26,31).
What are the key properties of 5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide?
5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 482.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 118985913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).