N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide

C17H25N3O — CID 115569298

IUPACN-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide
SMILESCCCc1nc2ccccc2n1CC(=O)NC(CC)CC
InChIInChI=1S/C17H25N3O/c1-4-9-16-19-14-10-7-8-11-15(14)20(16)12-17(21)18-13(5-2)6-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,18,21)
InChIKeyRAYSOWIZGCRBED-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.29
Rot. Bonds7

About N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide

N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide (PubChem CID 115569298) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide
PubChem CID115569298
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide
SMILESCCCc1nc2ccccc2n1CC(=O)NC(CC)CC
InChIInChI=1S/C17H25N3O/c1-4-9-16-19-14-10-7-8-11-15(14)20(16)12-17(21)18-13(5-2)6-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,18,21)
InChIKeyRAYSOWIZGCRBED-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one
CID 112632250
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
CID 42971097
N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
CID 17032336
N-[(4-methoxyphenyl)methyl]-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028685
N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide
CID 39148036
(2S,3S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 119194002
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17028901
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 104751637
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate
CID 115970954

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide (CID 115569298) is N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide is CCCc1nc2ccccc2n1CC(=O)NC(CC)CC.
What is the InChIKey of N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide?
The InChIKey is RAYSOWIZGCRBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-9-16-19-14-10-7-8-11-15(14)20(16)12-17(21)18-13(5-2)6-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,18,21).
What are the key properties of N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide?
N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide has a molecular weight of 287.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 115569298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).