3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one

C16H23N3O — CID 116557165

IUPAC3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one
SMILESCCCC(C)(N)C(=O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C16H23N3O/c1-4-10-16(3,17)14(20)11-15-18-12-8-6-7-9-13(12)19(15)5-2/h6-9H,4-5,10-11,17H2,1-3H3
InChIKeyKIOTUTAFDNQQOB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.69
Rot. Bonds6

About 3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one

3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one (PubChem CID 116557165) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one.

Molecular Properties

Compound Name3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one
PubChem CID116557165
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one
SMILESCCCC(C)(N)C(=O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C16H23N3O/c1-4-10-16(3,17)14(20)11-15-18-12-8-6-7-9-13(12)19(15)5-2/h6-9H,4-5,10-11,17H2,1-3H3
InChIKeyKIOTUTAFDNQQOB-UHFFFAOYSA-N
XLogP2.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
CID 116592819
3-amino-1-(1-ethylbenzimidazol-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116593122
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
CID 115782747
3-(1-ethylbenzimidazol-2-yl)-2,2-difluoropropanoic acid
CID 79753743
1-(1-ethylbenzimidazol-2-yl)-3-methoxyhexan-2-one
CID 116708087
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine
CID 115621638
1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one
CID 116562942
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one?
The IUPAC name of 3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one (CID 116557165) is 3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one.
What is the SMILES notation for 3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one?
The canonical SMILES for 3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one is CCCC(C)(N)C(=O)Cc1nc2ccccc2n1CC.
What is the InChIKey of 3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one?
The InChIKey is KIOTUTAFDNQQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-10-16(3,17)14(20)11-15-18-12-8-6-7-9-13(12)19(15)5-2/h6-9H,4-5,10-11,17H2,1-3H3.
What are the key properties of 3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one?
3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one is sourced from PubChem (CID 116557165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).