1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one

C14H19N3O — CID 116562664

IUPAC1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
SMILESCCNCC(=O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C14H19N3O/c1-3-15-10-11(18)9-14-16-12-7-5-6-8-13(12)17(14)4-2/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyMNPOASAVWFTTKC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.78
Rot. Bonds6

About 1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one

1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one (PubChem CID 116562664) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
PubChem CID116562664
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
SMILESCCNCC(=O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C14H19N3O/c1-3-15-10-11(18)9-14-16-12-7-5-6-8-13(12)17(14)4-2/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyMNPOASAVWFTTKC-UHFFFAOYSA-N
XLogP1.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one
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1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
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CID 60673139
1-(1-ethylbenzimidazol-2-yl)-3-(thian-4-yl)propan-2-one
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1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
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2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116578839
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
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CID 115782747

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one (CID 116562664) is 1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one is CCNCC(=O)Cc1nc2ccccc2n1CC.
What is the InChIKey of 1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one?
The InChIKey is MNPOASAVWFTTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-15-10-11(18)9-14-16-12-7-5-6-8-13(12)17(14)4-2/h5-8,15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one?
1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 116562664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).