2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide

C15H20N4O — CID 11960018

IUPAC2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide
SMILESCCCNC1(c2nc3c(C(N)=O)cccc3[nH]2)CCC1
InChIInChI=1S/C15H20N4O/c1-2-9-17-15(7-4-8-15)14-18-11-6-3-5-10(13(16)20)12(11)19-14/h3,5-6,17H,2,4,7-9H2,1H3,(H2,16,20)(H,18,19)
InChIKeyOAQFRZLGODMYHV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.04
Rot. Bonds5

About 2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide

2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide (PubChem CID 11960018) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide
PubChem CID11960018
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide
SMILESCCCNC1(c2nc3c(C(N)=O)cccc3[nH]2)CCC1
InChIInChI=1S/C15H20N4O/c1-2-9-17-15(7-4-8-15)14-18-11-6-3-5-10(13(16)20)12(11)19-14/h3,5-6,17H,2,4,7-9H2,1H3,(H2,16,20)(H,18,19)
InChIKeyOAQFRZLGODMYHV-UHFFFAOYSA-N
XLogP2.04
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide (CID 11960018) is 2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide is CCCNC1(c2nc3c(C(N)=O)cccc3[nH]2)CCC1.
What is the InChIKey of 2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is OAQFRZLGODMYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-9-17-15(7-4-8-15)14-18-11-6-3-5-10(13(16)20)12(11)19-14/h3,5-6,17H,2,4,7-9H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of 2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide?
2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).