N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide

C19H16N4O — CID 59018404

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccnc2ccccc12
InChIInChI=1S/C19H16N4O/c24-19(14-9-11-20-15-6-2-1-5-13(14)15)21-12-10-18-22-16-7-3-4-8-17(16)23-18/h1-9,11H,10,12H2,(H,21,24)(H,22,23)
InChIKeyYKXMZZYPDMSRHK-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide (PubChem CID 59018404) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
PubChem CID59018404
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccnc2ccccc12
InChIInChI=1S/C19H16N4O/c24-19(14-9-11-20-15-6-2-1-5-13(14)15)21-12-10-18-22-16-7-3-4-8-17(16)23-18/h1-9,11H,10,12H2,(H,21,24)(H,22,23)
InChIKeyYKXMZZYPDMSRHK-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 60550987
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 21008933
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide
CID 50977313
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-iodobenzamide
CID 34258206
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 56876658
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 110204460

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide (CID 59018404) is N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide is O=C(NCCc1nc2ccccc2[nH]1)c1ccnc2ccccc12.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is YKXMZZYPDMSRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-19(14-9-11-20-15-6-2-1-5-13(14)15)21-12-10-18-22-16-7-3-4-8-17(16)23-18/h1-9,11H,10,12H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 59018404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).