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

C18H17ClN4 — CID 142721207

IUPAC6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc2c(c1)CCN(c1cncc(Cn3ccnc3)c1)C2
InChIInChI=1S/C18H17ClN4/c19-17-2-1-16-12-23(5-3-15(16)8-17)18-7-14(9-21-10-18)11-22-6-4-20-13-22/h1-2,4,6-10,13H,3,5,11-12H2
InChIKeyAZTBVPQHXMBWPG-UHFFFAOYSA-N
MW324.82 g/mol
LogP3.54
Rot. Bonds3

About 6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline

6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 142721207) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is 6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
PubChem CID142721207
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC Name6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc2c(c1)CCN(c1cncc(Cn3ccnc3)c1)C2
InChIInChI=1S/C18H17ClN4/c19-17-2-1-16-12-23(5-3-15(16)8-17)18-7-14(9-21-10-18)11-22-6-4-20-13-22/h1-2,4,6-10,13H,3,5,11-12H2
InChIKeyAZTBVPQHXMBWPG-UHFFFAOYSA-N
XLogP3.54
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline (CID 142721207) is 6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline is Clc1ccc2c(c1)CCN(c1cncc(Cn3ccnc3)c1)C2.
What is the InChIKey of 6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is AZTBVPQHXMBWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c19-17-2-1-16-12-23(5-3-15(16)8-17)18-7-14(9-21-10-18)11-22-6-4-20-13-22/h1-2,4,6-10,13H,3,5,11-12H2.
What are the key properties of 6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?
6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 324.82 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 142721207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).