2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone

C14H19N3O — CID 96675047

IUPAC2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone
SMILESCCNCC(=O)c1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C14H19N3O/c1-4-15-8-13(18)10-5-6-11-12(7-10)17-14(16-11)9(2)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyVOQPLAOASYNFMK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.48
Rot. Bonds5

About 2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone

2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone (PubChem CID 96675047) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone
PubChem CID96675047
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone
SMILESCCNCC(=O)c1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C14H19N3O/c1-4-15-8-13(18)10-5-6-11-12(7-10)17-14(16-11)9(2)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyVOQPLAOASYNFMK-UHFFFAOYSA-N
XLogP2.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052731
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]acetic acid
CID 82498520
N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765669
2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethylamino]acetic acid
CID 112519291
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727
N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765621
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one
CID 116916248
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)carbamoylamino]acetic acid
CID 98034048
1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 39104462
N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765626

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone?
The IUPAC name of 2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone (CID 96675047) is 2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone.
What is the SMILES notation for 2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone?
The canonical SMILES for 2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone is CCNCC(=O)c1ccc2nc(C(C)C)[nH]c2c1.
What is the InChIKey of 2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone?
The InChIKey is VOQPLAOASYNFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-15-8-13(18)10-5-6-11-12(7-10)17-14(16-11)9(2)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone?
2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone has a molecular weight of 245.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone is sourced from PubChem (CID 96675047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).