2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole

C33H30N8 — CID 67722836

IUPAC2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole
SMILESCCCCc1nc2ccc(-c3nc4ccccc4n3C)cc2n1-c1cccc(-c2ccccc2-c2nn[nH]n2)c1C
InChIInChI=1S/C33H30N8/c1-4-5-17-31-34-27-19-18-22(33-35-26-14-8-9-15-29(26)40(33)3)20-30(27)41(31)28-16-10-13-23(21(28)2)24-11-6-7-12-25(24)32-36-38-39-37-32/h6-16,18-20H,4-5,17H2,1-3H3,(H,36,37,38,39)
InChIKeyVLWAAVKOAAOPRV-UHFFFAOYSA-N
MW538.66 g/mol
LogP7.08
Rot. Bonds7

About 2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole

2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole (PubChem CID 67722836) has the molecular formula C33H30N8 and a molecular weight of 538.66 g/mol. Its IUPAC name is 2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole
PubChem CID67722836
Molecular FormulaC33H30N8
Molecular Weight538.66 g/mol
Exact Mass538.26
IUPAC Name2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole
SMILESCCCCc1nc2ccc(-c3nc4ccccc4n3C)cc2n1-c1cccc(-c2ccccc2-c2nn[nH]n2)c1C
InChIInChI=1S/C33H30N8/c1-4-5-17-31-34-27-19-18-22(33-35-26-14-8-9-15-29(26)40(33)3)20-30(27)41(31)28-16-10-13-23(21(28)2)24-11-6-7-12-25(24)32-36-38-39-37-32/h6-16,18-20H,4-5,17H2,1-3H3,(H,36,37,38,39)
InChIKeyVLWAAVKOAAOPRV-UHFFFAOYSA-N
XLogP7.08
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 ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-butyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one
CID 46947564
2-butyl-6-(1-cyclopropylbenzimidazol-2-yl)-4-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 54237779
5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole
CID 139644474
2-[3-[6-[acetyl(cyclohexylmethyl)amino]-2-butylbenzimidazol-1-yl]-2-methylphenyl]benzoic acid
CID 67722671
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
N-[2-butyl-3-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]benzimidazol-5-yl]-5-(dimethylamino)naphthalene-1-sulfonamide;hydrate
CID 67722599
2-butyl-6-(2-chlorophenyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
CID 10414314
2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine
CID 67943889
2-butyl-6-[(3-methylphenoxy)methyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19100846
5-[2-[4-[(2,5-dibutyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;ethane
CID 145006110
3-[2-butyl-6-(1-hexyl-5-methylbenzimidazol-2-yl)benzimidazol-1-yl]-2-methyl-6-phenylbenzoic acid
CID 67722243
2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 15355268

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole?
The IUPAC name of 2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole (CID 67722836) is 2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole.
What is the SMILES notation for 2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole?
The canonical SMILES for 2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole is CCCCc1nc2ccc(-c3nc4ccccc4n3C)cc2n1-c1cccc(-c2ccccc2-c2nn[nH]n2)c1C.
What is the InChIKey of 2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole?
The InChIKey is VLWAAVKOAAOPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N8/c1-4-5-17-31-34-27-19-18-22(33-35-26-14-8-9-15-29(26)40(33)3)20-30(27)41(31)28-16-10-13-23(21(28)2)24-11-6-7-12-25(24)32-36-38-39-37-32/h6-16,18-20H,4-5,17H2,1-3H3,(H,36,37,38,39).
What are the key properties of 2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole?
2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole has a molecular weight of 538.66 g/mol, XLogP of 7.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole is sourced from PubChem (CID 67722836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).