N-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide

C20H18N4O — CID 17399080

IUPACN-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide
SMILESCCCn1c(NC(=O)c2ccc3ccccc3n2)nc2ccccc21
InChIInChI=1S/C20H18N4O/c1-2-13-24-18-10-6-5-9-16(18)22-20(24)23-19(25)17-12-11-14-7-3-4-8-15(14)21-17/h3-12H,2,13H2,1H3,(H,22,23,25)
InChIKeyDYGJLBLTVHZWLM-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.25
Rot. Bonds4

About N-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide

N-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide (PubChem CID 17399080) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide
PubChem CID17399080
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide
SMILESCCCn1c(NC(=O)c2ccc3ccccc3n2)nc2ccccc21
InChIInChI=1S/C20H18N4O/c1-2-13-24-18-10-6-5-9-16(18)22-20(24)23-19(25)17-12-11-14-7-3-4-8-15(14)21-17/h3-12H,2,13H2,1H3,(H,22,23,25)
InChIKeyDYGJLBLTVHZWLM-UHFFFAOYSA-N
XLogP4.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of N-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide (CID 17399080) is N-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide is CCCn1c(NC(=O)c2ccc3ccccc3n2)nc2ccccc21.
What is the InChIKey of N-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide?
The InChIKey is DYGJLBLTVHZWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-13-24-18-10-6-5-9-16(18)22-20(24)23-19(25)17-12-11-14-7-3-4-8-15(14)21-17/h3-12H,2,13H2,1H3,(H,22,23,25).
What are the key properties of N-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide?
N-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylbenzimidazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 17399080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).