1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone

C15H21N3O — CID 82052598

IUPAC1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone
SMILESCCCN(CCC)CC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-3-7-18(8-4-2)10-15(19)12-5-6-13-14(9-12)17-11-16-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyCUCROXRDCAKXGO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.87
Rot. Bonds7

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

1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone (PubChem CID 82052598) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone
PubChem CID82052598
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone
SMILESCCCN(CCC)CC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-3-7-18(8-4-2)10-15(19)12-5-6-13-14(9-12)17-11-16-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyCUCROXRDCAKXGO-UHFFFAOYSA-N
XLogP2.87
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate
CID 60959275
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1-(3H-benzimidazol-5-yl)-3-(dimethylamino)prop-2-yn-1-one
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1-(3H-benzimidazol-5-yl)-3-chloropropan-1-one
CID 82052582
1-(3H-benzimidazol-5-yl)-3-sulfanylpropan-1-one
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bis(3H-benzimidazol-5-yl)methanone
CID 71332789
4-(3H-benzimidazol-5-yl)-4-oxobutanenitrile
CID 116862119
4-(3H-benzimidazol-5-yl)-2-methyl-4-oxobutanoic acid
CID 116918445
N-butan-2-yl-N-butyl-3H-benzimidazole-5-carboxamide
CID 60959614
2-(3H-benzimidazole-5-carbonyl)butanoic acid
CID 116922875
2-[3H-benzimidazole-5-carbonyl(tert-butyl)amino]acetic acid
CID 79265620
N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 43397885

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone (CID 82052598) is 1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone is CCCN(CCC)CC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone?
The InChIKey is CUCROXRDCAKXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-7-18(8-4-2)10-15(19)12-5-6-13-14(9-12)17-11-16-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone?
1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone has a molecular weight of 259.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone is sourced from PubChem (CID 82052598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).