(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide

C12H15N3O — CID 94671511

IUPAC(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
SMILESCCc1nc2ccccc2n1[C@@H](C)C(N)=O
InChIInChI=1S/C12H15N3O/c1-3-11-14-9-6-4-5-7-10(9)15(11)8(2)12(13)16/h4-8H,3H2,1-2H3,(H2,13,16)/t8-/m0/s1
InChIKeyGMQUBQTWEUAYAD-QMMMGPOBSA-N
MW217.27 g/mol
LogP1.64
Rot. Bonds3

About (2S)-2-(2-ethylbenzimidazol-1-yl)propanamide

(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide (PubChem CID 94671511) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (2S)-2-(2-ethylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
PubChem CID94671511
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
SMILESCCc1nc2ccccc2n1[C@@H](C)C(N)=O
InChIInChI=1S/C12H15N3O/c1-3-11-14-9-6-4-5-7-10(9)15(11)8(2)12(13)16/h4-8H,3H2,1-2H3,(H2,13,16)/t8-/m0/s1
InChIKeyGMQUBQTWEUAYAD-QMMMGPOBSA-N
XLogP1.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide
CID 79405139
2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid
CID 82024672
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate
CID 83038109
methyl 3-(2-ethylbenzimidazol-1-yl)butanoate
CID 63106169
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
1-but-3-en-2-yl-2-ethylbenzimidazole
CID 116622499
2-methylpropyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]propanoate
CID 82161922
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 63636686
2-(2-ethylbenzimidazol-1-yl)-2-phenylethanamine
CID 63105228

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylbenzimidazol-1-yl)propanamide?
The IUPAC name of (2S)-2-(2-ethylbenzimidazol-1-yl)propanamide (CID 94671511) is (2S)-2-(2-ethylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for (2S)-2-(2-ethylbenzimidazol-1-yl)propanamide?
The canonical SMILES for (2S)-2-(2-ethylbenzimidazol-1-yl)propanamide is CCc1nc2ccccc2n1[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-(2-ethylbenzimidazol-1-yl)propanamide?
The InChIKey is GMQUBQTWEUAYAD-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-11-14-9-6-4-5-7-10(9)15(11)8(2)12(13)16/h4-8H,3H2,1-2H3,(H2,13,16)/t8-/m0/s1.
What are the key properties of (2S)-2-(2-ethylbenzimidazol-1-yl)propanamide?
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide has a molecular weight of 217.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 94671511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).