1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one

C15H21N3O — CID 116587001

IUPAC1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one
SMILESCCn1c(CC(=O)C(C)CNC)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-4-18-13-8-6-5-7-12(13)17-15(18)9-14(19)11(2)10-16-3/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyYLZIRKIJKLMQRO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.02
Rot. Bonds6

About 1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one

1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one (PubChem CID 116587001) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one
PubChem CID116587001
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one
SMILESCCn1c(CC(=O)C(C)CNC)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-4-18-13-8-6-5-7-12(13)17-15(18)9-14(19)11(2)10-16-3/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyYLZIRKIJKLMQRO-UHFFFAOYSA-N
XLogP2.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119866315
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
CID 115782747
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119866240
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(1-ethylbenzimidazol-2-yl)-3-methoxyhexan-2-one
CID 116708087
5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 116595070
1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116562664
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one (CID 116587001) is 1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one is CCn1c(CC(=O)C(C)CNC)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one?
The InChIKey is YLZIRKIJKLMQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18-13-8-6-5-7-12(13)17-15(18)9-14(19)11(2)10-16-3/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one?
1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one is sourced from PubChem (CID 116587001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).