1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole

C20H20ClN3 — CID 123500126

IUPAC1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole
SMILESCc1c(-c2ncccn2)c2c(n1Cc1ccccc1Cl)CCCC2
InChIInChI=1S/C20H20ClN3/c1-14-19(20-22-11-6-12-23-20)16-8-3-5-10-18(16)24(14)13-15-7-2-4-9-17(15)21/h2,4,6-7,9,11-12H,3,5,8,10,13H2,1H3
InChIKeyCTDZVEZTDVQAEP-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.83
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole

1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole (PubChem CID 123500126) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole
PubChem CID123500126
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC Name1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole
SMILESCc1c(-c2ncccn2)c2c(n1Cc1ccccc1Cl)CCCC2
InChIInChI=1S/C20H20ClN3/c1-14-19(20-22-11-6-12-23-20)16-8-3-5-10-18(16)24(14)13-15-7-2-4-9-17(15)21/h2,4,6-7,9,11-12H,3,5,8,10,13H2,1H3
InChIKeyCTDZVEZTDVQAEP-UHFFFAOYSA-N
XLogP4.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole (CID 123500126) is 1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole is Cc1c(-c2ncccn2)c2c(n1Cc1ccccc1Cl)CCCC2.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole?
The InChIKey is CTDZVEZTDVQAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c1-14-19(20-22-11-6-12-23-20)16-8-3-5-10-18(16)24(14)13-15-7-2-4-9-17(15)21/h2,4,6-7,9,11-12H,3,5,8,10,13H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole?
1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole has a molecular weight of 337.85 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydroindole is sourced from PubChem (CID 123500126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).