2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide

C16H24N4O — CID 63637877

IUPAC2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)n1c(CCN)nc2ccccc21
InChIInChI=1S/C16H24N4O/c1-4-11(2)18-16(21)12(3)20-14-8-6-5-7-13(14)19-15(20)9-10-17/h5-8,11-12H,4,9-10,17H2,1-3H3,(H,18,21)
InChIKeyFXQUUCWHBPXUOG-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.01
Rot. Bonds6

About 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide

2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide (PubChem CID 63637877) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide
PubChem CID63637877
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)n1c(CCN)nc2ccccc21
InChIInChI=1S/C16H24N4O/c1-4-11(2)18-16(21)12(3)20-14-8-6-5-7-13(14)19-15(20)9-10-17/h5-8,11-12H,4,9-10,17H2,1-3H3,(H,18,21)
InChIKeyFXQUUCWHBPXUOG-UHFFFAOYSA-N
XLogP2.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 63636686
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
(2S)-N-[(2R)-butan-2-yl]-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301604
2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid
CID 82024672
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide
CID 79405139
2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide
CID 63638092
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
N-butan-2-yl-2-indol-1-ylpropanamide
CID 113233604
(2R)-2-(2-propylbenzimidazol-1-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]propanamide
CID 126423797

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide (CID 63637877) is 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)n1c(CCN)nc2ccccc21.
What is the InChIKey of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide?
The InChIKey is FXQUUCWHBPXUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-11(2)18-16(21)12(3)20-14-8-6-5-7-13(14)19-15(20)9-10-17/h5-8,11-12H,4,9-10,17H2,1-3H3,(H,18,21).
What are the key properties of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide?
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide is sourced from PubChem (CID 63637877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).