2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide

C15H20N4O — CID 11960832

IUPAC2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCCCN1CC(C)(c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C15H20N4O/c1-3-7-19-8-15(2,9-19)14-17-11-6-4-5-10(13(16)20)12(11)18-14/h4-6H,3,7-9H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyXLOYEGMWNYQARU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.65
Rot. Bonds4

About 2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide

2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11960832) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11960832
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCCCN1CC(C)(c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C15H20N4O/c1-3-7-19-8-15(2,9-19)14-17-11-6-4-5-10(13(16)20)12(11)18-14/h4-6H,3,7-9H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyXLOYEGMWNYQARU-UHFFFAOYSA-N
XLogP1.65
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 11960920
3-(4-carbamoyl-1H-benzimidazol-2-yl)-3-methylpyrrolidine-1-carboxylic acid
CID 66751111
2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide
CID 11960018
2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide
CID 11960921
2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide
CID 11960103
2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 11960736
2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 25194781
2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 25194562
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexan-1-yl]-1H-benzimidazole-4-carboxamide
CID 68952087
2-[(1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide
CID 25229722
2-(2-ethyl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide
CID 25229725
2-(1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 25190747

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide (CID 11960832) is 2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide is CCCN1CC(C)(c2nc3c(C(N)=O)cccc3[nH]2)C1.
What is the InChIKey of 2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is XLOYEGMWNYQARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-7-19-8-15(2,9-19)14-17-11-6-4-5-10(13(16)20)12(11)18-14/h4-6H,3,7-9H2,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of 2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide?
2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).