(2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine

C17H14N4 — CID 104721160

IUPAC(2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine
SMILESNCc1cccc2[nH]c(-c3nccc4ccccc34)nc12
InChIInChI=1S/C17H14N4/c18-10-12-5-3-7-14-15(12)21-17(20-14)16-13-6-2-1-4-11(13)8-9-19-16/h1-9H,10,18H2,(H,20,21)
InChIKeyUFSJAXGWAOOSOE-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.24
Rot. Bonds2

About (2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine

(2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine (PubChem CID 104721160) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is (2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine
PubChem CID104721160
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name(2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine
SMILESNCc1cccc2[nH]c(-c3nccc4ccccc34)nc12
InChIInChI=1S/C17H14N4/c18-10-12-5-3-7-14-15(12)21-17(20-14)16-13-6-2-1-4-11(13)8-9-19-16/h1-9H,10,18H2,(H,20,21)
InChIKeyUFSJAXGWAOOSOE-UHFFFAOYSA-N
XLogP3.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(furan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721099
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721059
[2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine
CID 104721137
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721055
[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721162
[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721322
[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721024
[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 107994630
(2-isoquinolin-1-ylpyrimidin-4-yl)methanamine
CID 63948055
[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721029

Frequently Asked Questions

What is the IUPAC name of (2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine?
The IUPAC name of (2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine (CID 104721160) is (2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine.
What is the SMILES notation for (2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine?
The canonical SMILES for (2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine is NCc1cccc2[nH]c(-c3nccc4ccccc34)nc12.
What is the InChIKey of (2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine?
The InChIKey is UFSJAXGWAOOSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-10-12-5-3-7-14-15(12)21-17(20-14)16-13-6-2-1-4-11(13)8-9-19-16/h1-9H,10,18H2,(H,20,21).
What are the key properties of (2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine?
(2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine has a molecular weight of 274.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine is sourced from PubChem (CID 104721160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).