1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole

C22H27N5 — CID 78324785

IUPAC1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(CCn3cnnn3)cc2)cc1
InChIInChI=1S/C22H27N5/c1-18-3-2-14-26(18)15-12-19-4-8-21(9-5-19)22-10-6-20(7-11-22)13-16-27-17-23-24-25-27/h4-11,17-18H,2-3,12-16H2,1H3/t18-/m1/s1
InChIKeyWCWTZUQOGQQNGK-GOSISDBHSA-N
MW361.49 g/mol
LogP3.61
Rot. Bonds7

About 1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole

1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole (PubChem CID 78324785) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole.

Molecular Properties

Compound Name1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole
PubChem CID78324785
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(CCn3cnnn3)cc2)cc1
InChIInChI=1S/C22H27N5/c1-18-3-2-14-26(18)15-12-19-4-8-21(9-5-19)22-10-6-20(7-11-22)13-16-27-17-23-24-25-27/h4-11,17-18H,2-3,12-16H2,1H3/t18-/m1/s1
InChIKeyWCWTZUQOGQQNGK-GOSISDBHSA-N
XLogP3.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole?
The IUPAC name of 1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole (CID 78324785) is 1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole.
What is the SMILES notation for 1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole?
The canonical SMILES for 1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole is C[C@@H]1CCCN1CCc1ccc(-c2ccc(CCn3cnnn3)cc2)cc1.
What is the InChIKey of 1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole?
The InChIKey is WCWTZUQOGQQNGK-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N5/c1-18-3-2-14-26(18)15-12-19-4-8-21(9-5-19)22-10-6-20(7-11-22)13-16-27-17-23-24-25-27/h4-11,17-18H,2-3,12-16H2,1H3/t18-/m1/s1.
What are the key properties of 1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole?
1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole has a molecular weight of 361.49 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]ethyl]tetrazole is sourced from PubChem (CID 78324785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).