1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide

C17H25N5O2 — CID 20974967

IUPAC1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide
SMILESCCC(C)NC(=O)NCCn1cnc2cc(C(=O)N(C)C)ccc21
InChIInChI=1S/C17H25N5O2/c1-5-12(2)20-17(24)18-8-9-22-11-19-14-10-13(6-7-15(14)22)16(23)21(3)4/h6-7,10-12H,5,8-9H2,1-4H3,(H2,18,20,24)
InChIKeyJQFHHWOYQUXAJW-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.84
Rot. Bonds6

About 1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide

1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide (PubChem CID 20974967) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide
PubChem CID20974967
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide
SMILESCCC(C)NC(=O)NCCn1cnc2cc(C(=O)N(C)C)ccc21
InChIInChI=1S/C17H25N5O2/c1-5-12(2)20-17(24)18-8-9-22-11-19-14-10-13(6-7-15(14)22)16(23)21(3)4/h6-7,10-12H,5,8-9H2,1-4H3,(H2,18,20,24)
InChIKeyJQFHHWOYQUXAJW-UHFFFAOYSA-N
XLogP1.84
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of 1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide (CID 20974967) is 1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide is CCC(C)NC(=O)NCCn1cnc2cc(C(=O)N(C)C)ccc21.
What is the InChIKey of 1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide?
The InChIKey is JQFHHWOYQUXAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-12(2)20-17(24)18-8-9-22-11-19-14-10-13(6-7-15(14)22)16(23)21(3)4/h6-7,10-12H,5,8-9H2,1-4H3,(H2,18,20,24).
What are the key properties of 1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide?
1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 20974967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).