3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one

C16H23N3O — CID 116592819

IUPAC3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
SMILESCCn1c(CC(=O)C(N)(CC)CC)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-16(17,5-2)14(20)11-15-18-12-9-7-8-10-13(12)19(15)6-3/h7-10H,4-6,11,17H2,1-3H3
InChIKeyAGJIPYWIMSAPLG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.69
Rot. Bonds6

About 3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one

3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one (PubChem CID 116592819) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
PubChem CID116592819
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
SMILESCCn1c(CC(=O)C(N)(CC)CC)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-16(17,5-2)14(20)11-15-18-12-9-7-8-10-13(12)19(15)6-3/h7-10H,4-6,11,17H2,1-3H3
InChIKeyAGJIPYWIMSAPLG-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-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one
CID 116557165
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-methoxyhexan-2-one
CID 116708087
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
CID 115782747
1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116562664
2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105114551
1-(1-ethylbenzimidazol-2-yl)-3-(thian-4-yl)propan-2-one
CID 105114577
3-(1-ethylbenzimidazol-2-yl)-2,2-difluoropropanoic acid
CID 79753743

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one?
The IUPAC name of 3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one (CID 116592819) is 3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one?
The canonical SMILES for 3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one is CCn1c(CC(=O)C(N)(CC)CC)nc2ccccc21.
What is the InChIKey of 3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one?
The InChIKey is AGJIPYWIMSAPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-16(17,5-2)14(20)11-15-18-12-9-7-8-10-13(12)19(15)6-3/h7-10H,4-6,11,17H2,1-3H3.
What are the key properties of 3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one?
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-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-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 116592819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).