5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine

C23H18N6 — CID 143359599

IUPAC5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine
SMILES[H]/N=C(\c1nc2c(C)cccc2[nH]1)c1cc(-c2cncc3ccccc23)cnc1N
InChIInChI=1S/C23H18N6/c1-13-5-4-8-19-21(13)29-23(28-19)20(24)17-9-15(11-27-22(17)25)18-12-26-10-14-6-2-3-7-16(14)18/h2-12,24H,1H3,(H2,25,27)(H,28,29)/b24-20-
InChIKeyDIUZFMFUKFKFAG-GFMRDNFCSA-N
MW378.44 g/mol
LogP4.48
Rot. Bonds3

About 5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine

5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine (PubChem CID 143359599) has the molecular formula C23H18N6 and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine.

Molecular Properties

Compound Name5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine
PubChem CID143359599
Molecular FormulaC23H18N6
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC Name5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine
SMILES[H]/N=C(\c1nc2c(C)cccc2[nH]1)c1cc(-c2cncc3ccccc23)cnc1N
InChIInChI=1S/C23H18N6/c1-13-5-4-8-19-21(13)29-23(28-19)20(24)17-9-15(11-27-22(17)25)18-12-26-10-14-6-2-3-7-16(14)18/h2-12,24H,1H3,(H2,25,27)(H,28,29)/b24-20-
InChIKeyDIUZFMFUKFKFAG-GFMRDNFCSA-N
XLogP4.48
TPSA104.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(4,5-dimethyl-1H-imidazole-2-carboximidoyl)-5-isoquinolin-4-ylpyridin-2-amine;1-[(2E)-2-methylpenta-2,4-dienyl]pyrrolidine
CID 143359519
5-bromo-3-[4-(methoxymethyl)-1H-benzimidazole-2-carboximidoyl]pyridin-2-amine
CID 143359539
2-(1H-benzimidazole-2-carboximidoyl)-4-(4,5-dimethyl-3-pyridinyl)aniline
CID 142077078
2-[2-amino-5-[5-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-pyridinyl]pyridine-3-carboximidoyl]-1H-benzimidazole-4-carboxamide
CID 137307945
3-ethanimidoyl-5-[4-methyl-5-[(propan-2-ylamino)methyl]-3-pyridinyl]pyridin-2-amine;4-(methoxymethyl)-2-methyl-1H-benzimidazole
CID 143359608
3-isoquinolin-4-ylaniline
CID 22724137
N-[5-[4-amino-3-(4-pyridin-4-yl-1H-benzimidazole-2-carboximidoyl)phenyl]-3-pyridinyl]cyclopropanecarboxamide
CID 137143194
3-[4-amino-3-(1H-benzimidazole-2-carboximidoyl)phenyl]phenol
CID 142077054
4-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-2-[4-(4-methylimidazol-1-yl)-1H-benzimidazole-2-carboximidoyl]aniline
CID 137037023
5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-[(E)-5-methoxypent-3-enyl]-5-methyl-1H-imidazole-2-carboximidoyl]pyridin-2-amine
CID 143359562
N-[3-[4-amino-3-(4-pyridin-2-yl-1H-benzimidazole-2-carboximidoyl)phenyl]-5-ethylphenyl]butanamide
CID 137037803
5-fluoro-4-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine-2-carboximidoyl]-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine
CID 145037607

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine?
The IUPAC name of 5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine (CID 143359599) is 5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine.
What is the SMILES notation for 5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine?
The canonical SMILES for 5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine is [H]/N=C(\c1nc2c(C)cccc2[nH]1)c1cc(-c2cncc3ccccc23)cnc1N.
What is the InChIKey of 5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine?
The InChIKey is DIUZFMFUKFKFAG-GFMRDNFCSA-N. The full InChI is InChI=1S/C23H18N6/c1-13-5-4-8-19-21(13)29-23(28-19)20(24)17-9-15(11-27-22(17)25)18-12-26-10-14-6-2-3-7-16(14)18/h2-12,24H,1H3,(H2,25,27)(H,28,29)/b24-20-.
What are the key properties of 5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine?
5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine has a molecular weight of 378.44 g/mol, XLogP of 4.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-4-yl-3-(4-methyl-1H-benzimidazole-2-carboximidoyl)pyridin-2-amine is sourced from PubChem (CID 143359599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).