N-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide

C21H18N6O2 — CID 24985777

IUPACN-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H18N6O2/c28-19(26-21-24-14-8-2-3-9-15(14)25-21)17-18(23-12-22-17)20(29)27-11-5-7-13-6-1-4-10-16(13)27/h1-4,6,8-10,12H,5,7,11H2,(H,22,23)(H2,24,25,26,28)
InChIKeyWLEINDRYECPRJN-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.13
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide

N-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide (PubChem CID 24985777) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide
PubChem CID24985777
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC NameN-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H18N6O2/c28-19(26-21-24-14-8-2-3-9-15(14)25-21)17-18(23-12-22-17)20(29)27-11-5-7-13-6-1-4-10-16(13)27/h1-4,6,8-10,12H,5,7,11H2,(H,22,23)(H2,24,25,26,28)
InChIKeyWLEINDRYECPRJN-UHFFFAOYSA-N
XLogP3.13
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide (CID 24985777) is N-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide is O=C(Nc1nc2ccccc2[nH]1)c1nc[nH]c1C(=O)N1CCCc2ccccc21.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide?
The InChIKey is WLEINDRYECPRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c28-19(26-21-24-14-8-2-3-9-15(14)25-21)17-18(23-12-22-17)20(29)27-11-5-7-13-6-1-4-10-16(13)27/h1-4,6,8-10,12H,5,7,11H2,(H,22,23)(H2,24,25,26,28).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide?
N-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 24985777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).