4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one

C13H17N3O — CID 82359609

IUPAC4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one
SMILESCCNc1nc2ccccc2n1CCC(C)=O
InChIInChI=1S/C13H17N3O/c1-3-14-13-15-11-6-4-5-7-12(11)16(13)9-8-10(2)17/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyOIOXHJXCAMQFLQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.45
Rot. Bonds5

About 4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one

4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one (PubChem CID 82359609) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one.

Molecular Properties

Compound Name4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one
PubChem CID82359609
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one
SMILESCCNc1nc2ccccc2n1CCC(C)=O
InChIInChI=1S/C13H17N3O/c1-3-14-13-15-11-6-4-5-7-12(11)16(13)9-8-10(2)17/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyOIOXHJXCAMQFLQ-UHFFFAOYSA-N
XLogP2.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(methylamino)benzimidazol-1-yl]butan-2-one
CID 82359502
N-ethyl-1-(methoxymethyl)benzimidazol-2-amine
CID 82359568
ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate
CID 82359735
4-(2-methylsulfonylbenzimidazol-1-yl)butan-2-one
CID 30906910
2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
CID 82359602
N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
CID 3066877
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
N-cyclopentyl-2-[2-(ethylamino)benzimidazol-1-yl]acetamide
CID 82359517
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
2-N-ethylbenzimidazole-1,2-diamine
CID 45078021
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
2-[[(1-hexylbenzimidazol-2-yl)amino]methyl]phenol
CID 3442786

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one?
The IUPAC name of 4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one (CID 82359609) is 4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one.
What is the SMILES notation for 4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one?
The canonical SMILES for 4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one is CCNc1nc2ccccc2n1CCC(C)=O.
What is the InChIKey of 4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one?
The InChIKey is OIOXHJXCAMQFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-14-13-15-11-6-4-5-7-12(11)16(13)9-8-10(2)17/h4-7H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of 4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one?
4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one is sourced from PubChem (CID 82359609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).