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

C32H28N8 — CID 10481936

IUPAC6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCc1nc2ccc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C32H28N8/c1-3-8-30-33-27-18-17-23(32-34-26-11-6-7-12-28(26)39(32)2)19-29(27)40(30)20-21-13-15-22(16-14-21)24-9-4-5-10-25(24)31-35-37-38-36-31/h4-7,9-19H,3,8,20H2,1-2H3,(H,35,36,37,38)
InChIKeyCFMSUUJPNFRBBQ-UHFFFAOYSA-N
MW524.63 g/mol
LogP6.44
Rot. Bonds7

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

6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (PubChem CID 10481936) has the molecular formula C32H28N8 and a molecular weight of 524.63 g/mol. Its IUPAC name is 6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
PubChem CID10481936
Molecular FormulaC32H28N8
Molecular Weight524.63 g/mol
Exact Mass524.24
IUPAC Name6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCc1nc2ccc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C32H28N8/c1-3-8-30-33-27-18-17-23(32-34-26-11-6-7-12-28(26)39(32)2)19-29(27)40(30)20-21-13-15-22(16-14-21)24-9-4-5-10-25(24)31-35-37-38-36-31/h4-7,9-19H,3,8,20H2,1-2H3,(H,35,36,37,38)
InChIKeyCFMSUUJPNFRBBQ-UHFFFAOYSA-N
XLogP6.44
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The IUPAC name of 6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (CID 10481936) is 6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.
What is the SMILES notation for 6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The canonical SMILES for 6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is CCCc1nc2ccc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The InChIKey is CFMSUUJPNFRBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N8/c1-3-8-30-33-27-18-17-23(32-34-26-11-6-7-12-28(26)39(32)2)19-29(27)40(30)20-21-13-15-22(16-14-21)24-9-4-5-10-25(24)31-35-37-38-36-31/h4-7,9-19H,3,8,20H2,1-2H3,(H,35,36,37,38).
What are the key properties of 6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole has a molecular weight of 524.63 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 10481936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).