1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole

C30H33N5O2 — CID 11951447

IUPAC1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole
SMILESCCCc1c(OCc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)cc2)ccc2c1ccn2CC(C)(C)C
InChIInChI=1S/C30H33N5O2/c1-5-6-26-25-17-18-35(20-30(2,3)4)27(25)15-16-28(26)36-19-21-7-11-23(12-8-21)37-24-13-9-22(10-14-24)29-31-33-34-32-29/h7-18H,5-6,19-20H2,1-4H3,(H,31,32,33,34)
InChIKeyMNZXGZFQJINFTA-UHFFFAOYSA-N
MW495.63 g/mol
LogP7.19
Rot. Bonds9

About 1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole

1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole (PubChem CID 11951447) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole
PubChem CID11951447
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Name1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole
SMILESCCCc1c(OCc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)cc2)ccc2c1ccn2CC(C)(C)C
InChIInChI=1S/C30H33N5O2/c1-5-6-26-25-17-18-35(20-30(2,3)4)27(25)15-16-28(26)36-19-21-7-11-23(12-8-21)37-24-13-9-22(10-14-24)29-31-33-34-32-29/h7-18H,5-6,19-20H2,1-4H3,(H,31,32,33,34)
InChIKeyMNZXGZFQJINFTA-UHFFFAOYSA-N
XLogP7.19
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole (CID 11951447) is 1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole is CCCc1c(OCc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)cc2)ccc2c1ccn2CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole?
The InChIKey is MNZXGZFQJINFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-5-6-26-25-17-18-35(20-30(2,3)4)27(25)15-16-28(26)36-19-21-7-11-23(12-8-21)37-24-13-9-22(10-14-24)29-31-33-34-32-29/h7-18H,5-6,19-20H2,1-4H3,(H,31,32,33,34).
What are the key properties of 1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole?
1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole has a molecular weight of 495.63 g/mol, XLogP of 7.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-propyl-5-[[4-[4-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]indole is sourced from PubChem (CID 11951447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).