N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine

C16H16N4 — CID 106562841

IUPACN-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine
SMILESCc1cn(-c2cccc3cnccc23)c(NC2CC2)n1
InChIInChI=1S/C16H16N4/c1-11-10-20(16(18-11)19-13-5-6-13)15-4-2-3-12-9-17-8-7-14(12)15/h2-4,7-10,13H,5-6H2,1H3,(H,18,19)
InChIKeyGXNQMQBRHBNEBM-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.30
Rot. Bonds3

About N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine

N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine (PubChem CID 106562841) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine
PubChem CID106562841
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine
SMILESCc1cn(-c2cccc3cnccc23)c(NC2CC2)n1
InChIInChI=1S/C16H16N4/c1-11-10-20(16(18-11)19-13-5-6-13)15-4-2-3-12-9-17-8-7-14(12)15/h2-4,7-10,13H,5-6H2,1H3,(H,18,19)
InChIKeyGXNQMQBRHBNEBM-UHFFFAOYSA-N
XLogP3.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine
CID 106583716
2-(1-isoquinolin-5-yl-4-methylimidazol-2-yl)sulfanylacetic acid
CID 81344641
N-(1-methylpiperidin-4-yl)isoquinolin-5-amine
CID 43681291
N-cyclopropyl-4-methyl-1-(pyridin-3-ylmethyl)imidazol-2-amine
CID 106560493
N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570979
N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738794
N-ethyl-1-isoquinolin-5-ylimidazol-2-amine
CID 106562839
5-pyrrolidin-1-ylisoquinoline
CID 82582558
5-(5-methylpyrazol-1-yl)isoquinoline
CID 139907357
1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558666
1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106568966
N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine
CID 106554243

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine?
The IUPAC name of N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine (CID 106562841) is N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine?
The canonical SMILES for N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine is Cc1cn(-c2cccc3cnccc23)c(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine?
The InChIKey is GXNQMQBRHBNEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-10-20(16(18-11)19-13-5-6-13)15-4-2-3-12-9-17-8-7-14(12)15/h2-4,7-10,13H,5-6H2,1H3,(H,18,19).
What are the key properties of N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine?
N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine has a molecular weight of 264.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine is sourced from PubChem (CID 106562841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).