2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline

C17H18N4 — CID 82248781

IUPAC2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(c1ncccc1C1=NCCN1)C2
InChIInChI=1S/C17H18N4/c1-2-5-14-12-21(11-7-13(14)4-1)17-15(6-3-8-20-17)16-18-9-10-19-16/h1-6,8H,7,9-12H2,(H,18,19)
InChIKeyPSXSKHNQWCYWQF-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.99
Rot. Bonds2

About 2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline

2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 82248781) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
PubChem CID82248781
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(c1ncccc1C1=NCCN1)C2
InChIInChI=1S/C17H18N4/c1-2-5-14-12-21(11-7-13(14)4-1)17-15(6-3-8-20-17)16-18-9-10-19-16/h1-6,8H,7,9-12H2,(H,18,19)
InChIKeyPSXSKHNQWCYWQF-UHFFFAOYSA-N
XLogP1.99
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
CID 16783390
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
CID 17221175
2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 114056909
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine
CID 56745376
1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 82250249
[1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol
CID 82247966
2-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 82252663
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 139461226
3-[3-(bromomethyl)-2-pyridinyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 114056963
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 84574711
2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67141169
1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline
CID 11645449

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline (CID 82248781) is 2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline is c1ccc2c(c1)CCN(c1ncccc1C1=NCCN1)C2.
What is the InChIKey of 2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is PSXSKHNQWCYWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-5-14-12-21(11-7-13(14)4-1)17-15(6-3-8-20-17)16-18-9-10-19-16/h1-6,8H,7,9-12H2,(H,18,19).
What are the key properties of 2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 278.36 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 82248781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).