1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole

C30H33N5O — CID 11951099

IUPAC1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole
SMILESCCCc1c(OCc2cccc(-c3ccc(-c4nn[nH]n4)cc3)c2)ccc2c1ccn2CC(C)(C)C
InChIInChI=1S/C30H33N5O/c1-5-7-26-25-16-17-35(20-30(2,3)4)27(25)14-15-28(26)36-19-21-8-6-9-24(18-21)22-10-12-23(13-11-22)29-31-33-34-32-29/h6,8-18H,5,7,19-20H2,1-4H3,(H,31,32,33,34)
InChIKeyRYDIHZXJESNRRZ-UHFFFAOYSA-N
MW479.63 g/mol
LogP7.07
Rot. Bonds8

About 1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole

1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole (PubChem CID 11951099) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole
PubChem CID11951099
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC Name1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole
SMILESCCCc1c(OCc2cccc(-c3ccc(-c4nn[nH]n4)cc3)c2)ccc2c1ccn2CC(C)(C)C
InChIInChI=1S/C30H33N5O/c1-5-7-26-25-16-17-35(20-30(2,3)4)27(25)14-15-28(26)36-19-21-8-6-9-24(18-21)22-10-12-23(13-11-22)29-31-33-34-32-29/h6,8-18H,5,7,19-20H2,1-4H3,(H,31,32,33,34)
InChIKeyRYDIHZXJESNRRZ-UHFFFAOYSA-N
XLogP7.07
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole with MolForge

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Related Compounds

Diaplasinin
CID 6450820
1-(2,2-dimethylpropyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)phenoxy]butoxy}-1H-indole
CID 11271167
1-(2,2-Dimethyl-propyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-butoxy}-1H-indazole
CID 11950553
1-(2,2-Dimethyl-propyl)-2-methyl-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-butoxy}-1H-indole
CID 11950927
1-(2,2-Dimethyl-propyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-benzyloxy}-1H-indole
CID 11951447
1-(2,2-Dimethyl-propyl)-4-propyl-5-{3-[4-(1H-tetrazol-5-yl)-phenoxy]-benzyloxy}-1H-indole
CID 11951449
1-Cyclohexylmethyl-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-butoxy}-1H-indole
CID 11951806
1-Cyclopropylmethyl-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-butoxy}-1H-indole
CID 11951986
1,4-Dipropyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-butoxy}-1H-indole
CID 11951987
1-Isobutyl-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-butoxy}-1H-indole
CID 11951991
1-Pentyl-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-butoxy}-1H-indole
CID 11952168
1-(2,2-Dimethyl-propyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-but-2-enyloxy}-1H-indole
CID 11952169

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole (CID 11951099) is 1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole is CCCc1c(OCc2cccc(-c3ccc(-c4nn[nH]n4)cc3)c2)ccc2c1ccn2CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole?
The InChIKey is RYDIHZXJESNRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O/c1-5-7-26-25-16-17-35(20-30(2,3)4)27(25)14-15-28(26)36-19-21-8-6-9-24(18-21)22-10-12-23(13-11-22)29-31-33-34-32-29/h6,8-18H,5,7,19-20H2,1-4H3,(H,31,32,33,34).
What are the key properties of 1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole?
1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole has a molecular weight of 479.63 g/mol, XLogP of 7.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole is sourced from PubChem (CID 11951099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).