2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one

C12H15N3O — CID 82493365

IUPAC2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one
SMILESCCn1cnc2cc(C(=O)C(C)N)ccc21
InChIInChI=1S/C12H15N3O/c1-3-15-7-14-10-6-9(4-5-11(10)15)12(16)8(2)13/h4-8H,3,13H2,1-2H3
InChIKeyQFKIJZIEEBBNQT-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.59
Rot. Bonds3

About 2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one

2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one (PubChem CID 82493365) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one
PubChem CID82493365
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one
SMILESCCn1cnc2cc(C(=O)C(C)N)ccc21
InChIInChI=1S/C12H15N3O/c1-3-15-7-14-10-6-9(4-5-11(10)15)12(16)8(2)13/h4-8H,3,13H2,1-2H3
InChIKeyQFKIJZIEEBBNQT-UHFFFAOYSA-N
XLogP1.59
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
ethyl 1-(2,2-difluoroethyl)benzimidazole-5-carboxylate
CID 152584994
(1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone
CID 82497400
2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one
CID 116923440
2-cyclopentyl-2-(1-ethylbenzimidazol-5-yl)acetic acid
CID 82502054
1-(2,2-dimethylbutyl)benzimidazole-5-carboxylic acid
CID 103463486
6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one
CID 82341277
2-[(3S)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 124985657
1-ethyl-5-(trifluoromethylsulfonyl)benzimidazole
CID 22903244
1-butan-2-ylbenzimidazole-5-carboxylic acid
CID 43566656
3-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 87266116
N-(1-ethylbenzimidazol-5-yl)butanamide
CID 2973046

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one?
The IUPAC name of 2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one (CID 82493365) is 2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one is CCn1cnc2cc(C(=O)C(C)N)ccc21.
What is the InChIKey of 2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one?
The InChIKey is QFKIJZIEEBBNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-15-7-14-10-6-9(4-5-11(10)15)12(16)8(2)13/h4-8H,3,13H2,1-2H3.
What are the key properties of 2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one?
2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one has a molecular weight of 217.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one is sourced from PubChem (CID 82493365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).