5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole

C13H14ClN5 — CID 177336961

IUPAC5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole
SMILESCC(C)Cn1ccc2cc(Cl)cc(-c3nn[nH]n3)c21
InChIInChI=1S/C13H14ClN5/c1-8(2)7-19-4-3-9-5-10(14)6-11(12(9)19)13-15-17-18-16-13/h3-6,8H,7H2,1-2H3,(H,15,16,17,18)
InChIKeyRPKPZZAVYAGJJK-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.13
Rot. Bonds3

About 5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole

5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole (PubChem CID 177336961) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole.

Molecular Properties

Compound Name5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole
PubChem CID177336961
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole
SMILESCC(C)Cn1ccc2cc(Cl)cc(-c3nn[nH]n3)c21
InChIInChI=1S/C13H14ClN5/c1-8(2)7-19-4-3-9-5-10(14)6-11(12(9)19)13-15-17-18-16-13/h3-6,8H,7H2,1-2H3,(H,15,16,17,18)
InChIKeyRPKPZZAVYAGJJK-UHFFFAOYSA-N
XLogP3.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-[(3,3-difluorocyclobutyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)indole
CID 177337084
5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole
CID 177337070
1,4-bis(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740820
5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole
CID 177336999
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide
CID 164641353
5-(4-chloro-2-iodophenyl)-2H-tetrazole
CID 68634158
(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 163289288
4-cyclohexyl-1-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740410
1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
CID 59122734
6-chloro-4-methyl-8-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzothiazine
CID 177336537
(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
CID 163289289
2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine
CID 156592018

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole?
The IUPAC name of 5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole (CID 177336961) is 5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole.
What is the SMILES notation for 5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole?
The canonical SMILES for 5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole is CC(C)Cn1ccc2cc(Cl)cc(-c3nn[nH]n3)c21.
What is the InChIKey of 5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole?
The InChIKey is RPKPZZAVYAGJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-8(2)7-19-4-3-9-5-10(14)6-11(12(9)19)13-15-17-18-16-13/h3-6,8H,7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole?
5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole has a molecular weight of 275.74 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-methylpropyl)-7-(2H-tetrazol-5-yl)indole is sourced from PubChem (CID 177336961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).