N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide

C21H20N4O — CID 14153031

IUPACN-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide
SMILESCC(C)(CNC=O)c1ccc2nc(-c3ccnc4ccccc34)[nH]c2c1
InChIInChI=1S/C21H20N4O/c1-21(2,12-22-13-26)14-7-8-18-19(11-14)25-20(24-18)16-9-10-23-17-6-4-3-5-15(16)17/h3-11,13H,12H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyRUUCUQHVFZGIDH-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.80
Rot. Bonds5

About N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide

N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide (PubChem CID 14153031) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide.

Molecular Properties

Compound NameN-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide
PubChem CID14153031
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide
SMILESCC(C)(CNC=O)c1ccc2nc(-c3ccnc4ccccc34)[nH]c2c1
InChIInChI=1S/C21H20N4O/c1-21(2,12-22-13-26)14-7-8-18-19(11-14)25-20(24-18)16-9-10-23-17-6-4-3-5-15(16)17/h3-11,13H,12H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyRUUCUQHVFZGIDH-UHFFFAOYSA-N
XLogP3.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide
CID 19840426
2-quinolin-5-yl-3H-benzimidazol-5-amine
CID 62874194
N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide
CID 19840405
2-naphthalen-1-yl-3H-benzimidazol-5-ol
CID 81432399
N-[2-[2-(2-methoxy-4-methylsulfinylphenyl)-3H-benzimidazol-5-yl]-2-methylpropyl]methanesulfonamide
CID 19840430
4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide
CID 59530546
8-quinolin-4-yl-7H-purin-6-amine
CID 114608196
N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine
CID 115195642
4-amino-2-[2-(2-methoxy-5-methylsulfanylphenyl)-3H-benzimidazol-5-yl]-2-methylbutanal
CID 88652150
2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole
CID 155599071
4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile
CID 90027902
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide?
The IUPAC name of N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide (CID 14153031) is N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide.
What is the SMILES notation for N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide?
The canonical SMILES for N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide is CC(C)(CNC=O)c1ccc2nc(-c3ccnc4ccccc34)[nH]c2c1.
What is the InChIKey of N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide?
The InChIKey is RUUCUQHVFZGIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-21(2,12-22-13-26)14-7-8-18-19(11-14)25-20(24-18)16-9-10-23-17-6-4-3-5-15(16)17/h3-11,13H,12H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide?
N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide has a molecular weight of 344.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(2-quinolin-4-yl-3H-benzimidazol-5-yl)propyl]formamide is sourced from PubChem (CID 14153031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).