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

C18H26N4O — CID 11960103

IUPAC2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide
SMILESCCCN(CCC)C1(c2nc3c(C(N)=O)cccc3[nH]2)CCC1
InChIInChI=1S/C18H26N4O/c1-3-11-22(12-4-2)18(9-6-10-18)17-20-14-8-5-7-13(16(19)23)15(14)21-17/h5,7-8H,3-4,6,9-12H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyDORGQHGLFNDPQQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.16
Rot. Bonds7

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

2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide (PubChem CID 11960103) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide
PubChem CID11960103
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide
SMILESCCCN(CCC)C1(c2nc3c(C(N)=O)cccc3[nH]2)CCC1
InChIInChI=1S/C18H26N4O/c1-3-11-22(12-4-2)18(9-6-10-18)17-20-14-8-5-7-13(16(19)23)15(14)21-17/h5,7-8H,3-4,6,9-12H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyDORGQHGLFNDPQQ-UHFFFAOYSA-N
XLogP3.16
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide (CID 11960103) is 2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide is CCCN(CCC)C1(c2nc3c(C(N)=O)cccc3[nH]2)CCC1.
What is the InChIKey of 2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is DORGQHGLFNDPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-11-22(12-4-2)18(9-6-10-18)17-20-14-8-5-7-13(16(19)23)15(14)21-17/h5,7-8H,3-4,6,9-12H2,1-2H3,(H2,19,23)(H,20,21).
What are the key properties of 2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide?
2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dipropylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).