4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

C33H30N8 — CID 10437261

IUPAC4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C33H30N8/c1-4-9-30-35-31-21(2)18-24(33-34-27-12-7-8-13-28(27)40(33)3)19-29(31)41(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)32-36-38-39-37-32/h5-8,10-19H,4,9,20H2,1-3H3,(H,36,37,38,39)
InChIKeyNOASMCANAQBJTR-UHFFFAOYSA-N
MW538.66 g/mol
LogP6.75
Rot. Bonds7

About 4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (PubChem CID 10437261) has the molecular formula C33H30N8 and a molecular weight of 538.66 g/mol. Its IUPAC name is 4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
PubChem CID10437261
Molecular FormulaC33H30N8
Molecular Weight538.66 g/mol
Exact Mass538.26
IUPAC Name4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C33H30N8/c1-4-9-30-35-31-21(2)18-24(33-34-27-12-7-8-13-28(27)40(33)3)19-29(31)41(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)32-36-38-39-37-32/h5-8,10-19H,4,9,20H2,1-3H3,(H,36,37,38,39)
InChIKeyNOASMCANAQBJTR-UHFFFAOYSA-N
XLogP6.75
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.66
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The IUPAC name of 4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (CID 10437261) is 4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.
What is the SMILES notation for 4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The canonical SMILES for 4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The InChIKey is NOASMCANAQBJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N8/c1-4-9-30-35-31-21(2)18-24(33-34-27-12-7-8-13-28(27)40(33)3)19-29(31)41(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)32-36-38-39-37-32/h5-8,10-19H,4,9,20H2,1-3H3,(H,36,37,38,39).
What are the key properties of 4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole has a molecular weight of 538.66 g/mol, XLogP of 6.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 10437261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).