N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide

C20H20N4O2 — CID 122158480

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)CCCc3nc4ccccc4[nH]3)cc2n1
InChIInChI=1S/C20H20N4O2/c1-13-9-10-17-16(21-13)12-18(26-17)20(25)24(2)11-5-8-19-22-14-6-3-4-7-15(14)23-19/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,22,23)
InChIKeyWDAMJYVEMPXYBQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.72
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide (PubChem CID 122158480) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide
PubChem CID122158480
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)CCCc3nc4ccccc4[nH]3)cc2n1
InChIInChI=1S/C20H20N4O2/c1-13-9-10-17-16(21-13)12-18(26-17)20(25)24(2)11-5-8-19-22-14-6-3-4-7-15(14)23-19/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,22,23)
InChIKeyWDAMJYVEMPXYBQ-UHFFFAOYSA-N
XLogP3.72
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 86859930
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 86859939
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550590
N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 51097049
N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
CID 154785189
N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 86859963
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
CID 24731956
2-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669473
2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole
CID 3094288
N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide (CID 122158480) is N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide is Cc1ccc2oc(C(=O)N(C)CCCc3nc4ccccc4[nH]3)cc2n1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide?
The InChIKey is WDAMJYVEMPXYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-9-10-17-16(21-13)12-18(26-17)20(25)24(2)11-5-8-19-22-14-6-3-4-7-15(14)23-19/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 122158480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).