5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

C17H20N4 — CID 123760158

IUPAC5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2CCc2cnc[nH]2)CCNC1
InChIInChI=1S/C17H20N4/c1-12-2-3-16-14(8-12)15-10-18-6-4-17(15)21(16)7-5-13-9-19-11-20-13/h2-3,8-9,11,18H,4-7,10H2,1H3,(H,19,20)
InChIKeyCCZGCAXPHIPPHL-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.56
Rot. Bonds3

About 5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 123760158) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID123760158
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2CCc2cnc[nH]2)CCNC1
InChIInChI=1S/C17H20N4/c1-12-2-3-16-14(8-12)15-10-18-6-4-17(15)21(16)7-5-13-9-19-11-20-13/h2-3,8-9,11,18H,4-7,10H2,1H3,(H,19,20)
InChIKeyCCZGCAXPHIPPHL-UHFFFAOYSA-N
XLogP2.56
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one
CID 123534727
8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 123644290
8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 58147125
2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 25233167
5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 66614798
2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;ethane
CID 143998170
9-[3-(4-chlorophenoxy)propyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 155537477
3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82499865
5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 58147048
8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 82492833
5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 70261579
5-butyl-8-(4-methylsulfonylphenyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 118731175

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 123760158) is 5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2CCc2cnc[nH]2)CCNC1.
What is the InChIKey of 5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is CCZGCAXPHIPPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-2-3-16-14(8-12)15-10-18-6-4-17(15)21(16)7-5-13-9-19-11-20-13/h2-3,8-9,11,18H,4-7,10H2,1H3,(H,19,20).
What are the key properties of 5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 280.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-imidazol-5-yl)ethyl]-8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 123760158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).