2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide

C19H25N5O — CID 72896685

IUPAC2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide
SMILESCCc1nc2ccccc2n1C(CC)C(=O)NCc1cncn1CC
InChIInChI=1S/C19H25N5O/c1-4-16(19(25)21-12-14-11-20-13-23(14)6-3)24-17-10-8-7-9-15(17)22-18(24)5-2/h7-11,13,16H,4-6,12H2,1-3H3,(H,21,25)
InChIKeyVILAOLOIFRBQIA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.08
Rot. Bonds7

About 2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide

2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide (PubChem CID 72896685) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide
PubChem CID72896685
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide
SMILESCCc1nc2ccccc2n1C(CC)C(=O)NCc1cncn1CC
InChIInChI=1S/C19H25N5O/c1-4-16(19(25)21-12-14-11-20-13-23(14)6-3)24-17-10-8-7-9-15(17)22-18(24)5-2/h7-11,13,16H,4-6,12H2,1-3H3,(H,21,25)
InChIKeyVILAOLOIFRBQIA-UHFFFAOYSA-N
XLogP3.08
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)butanamide
CID 72875268
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide
CID 72937875
(2S)-2-(3-acetylindol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide
CID 94595755
(2S)-2-(2-ethylbenzimidazol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]butanamide
CID 136804352
(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 93301422
2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 42810631
5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56740184
(2S)-2-(2-ethylbenzimidazol-1-yl)-1-(3-pyridin-3-ylazetidin-1-yl)butan-1-one
CID 97148028
ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate
CID 83038109
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide
CID 124849946
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide
CID 42810626
3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid
CID 119062330

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide (CID 72896685) is 2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide is CCc1nc2ccccc2n1C(CC)C(=O)NCc1cncn1CC.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide?
The InChIKey is VILAOLOIFRBQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-16(19(25)21-12-14-11-20-13-23(14)6-3)24-17-10-8-7-9-15(17)22-18(24)5-2/h7-11,13,16H,4-6,12H2,1-3H3,(H,21,25).
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide?
2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide has a molecular weight of 339.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide is sourced from PubChem (CID 72896685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).