(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide

C12H16N4O — CID 119835125

IUPAC(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4O/c1-8(13)12(17)14-7-6-11-15-9-4-2-3-5-10(9)16-11/h2-5,8H,6-7,13H2,1H3,(H,14,17)(H,15,16)/t8-/m1/s1
InChIKeyDAHPVAWUVDTCRV-MRVPVSSYSA-N
MW232.29 g/mol
LogP0.57
Rot. Bonds4

About (2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide

(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide (PubChem CID 119835125) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
PubChem CID119835125
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4O/c1-8(13)12(17)14-7-6-11-15-9-4-2-3-5-10(9)16-11/h2-5,8H,6-7,13H2,1H3,(H,14,17)(H,15,16)/t8-/m1/s1
InChIKeyDAHPVAWUVDTCRV-MRVPVSSYSA-N
XLogP0.57
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835126
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 119835102
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 120797230
ethyl 2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoacetate
CID 110461546
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 27161634
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42919417

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide (CID 119835125) is (2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide is C[C@@H](N)C(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of (2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide?
The InChIKey is DAHPVAWUVDTCRV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(13)12(17)14-7-6-11-15-9-4-2-3-5-10(9)16-11/h2-5,8H,6-7,13H2,1H3,(H,14,17)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide?
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide has a molecular weight of 232.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 119835125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).