2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide

C17H25N3O — CID 110791708

IUPAC2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide
SMILESCC(C)n1cnc2cc(CCNC(=O)C(C)(C)C)ccc21
InChIInChI=1S/C17H25N3O/c1-12(2)20-11-19-14-10-13(6-7-15(14)20)8-9-18-16(21)17(3,4)5/h6-7,10-12H,8-9H2,1-5H3,(H,18,21)
InChIKeyJTHNRUXJMXEFCP-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.32
Rot. Bonds4

About 2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide (PubChem CID 110791708) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide
PubChem CID110791708
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide
SMILESCC(C)n1cnc2cc(CCNC(=O)C(C)(C)C)ccc21
InChIInChI=1S/C17H25N3O/c1-12(2)20-11-19-14-10-13(6-7-15(14)20)8-9-18-16(21)17(3,4)5/h6-7,10-12H,8-9H2,1-5H3,(H,18,21)
InChIKeyJTHNRUXJMXEFCP-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796167
N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 110796168
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773064
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine
CID 82493458
2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844366
N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 50844462
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110785908
2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844785
2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 110785922
3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115180781

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide (CID 110791708) is 2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide is CC(C)n1cnc2cc(CCNC(=O)C(C)(C)C)ccc21.
What is the InChIKey of 2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide?
The InChIKey is JTHNRUXJMXEFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)20-11-19-14-10-13(6-7-15(14)20)8-9-18-16(21)17(3,4)5/h6-7,10-12H,8-9H2,1-5H3,(H,18,21).
What are the key properties of 2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide has a molecular weight of 287.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 110791708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).