(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride

C13H20Cl2N4O — CID 119871657

IUPAC(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride
SMILESCCC(NC(=O)[C@@H](C)N)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C13H18N4O.2ClH/c1-3-9(17-13(18)8(2)14)12-15-10-6-4-5-7-11(10)16-12;;/h4-9H,3,14H2,1-2H3,(H,15,16)(H,17,18);2*1H/t8-,9?;;/m1../s1
InChIKeyCQKDELURAIBJAE-QMKDJUJBSA-N
MW319.24 g/mol
LogP2.32
Rot. Bonds4

About (2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride

(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride (PubChem CID 119871657) has the molecular formula C13H20Cl2N4O and a molecular weight of 319.24 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride
PubChem CID119871657
Molecular FormulaC13H20Cl2N4O
Molecular Weight319.24 g/mol
Exact Mass318.10
IUPAC Name(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride
SMILESCCC(NC(=O)[C@@H](C)N)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C13H18N4O.2ClH/c1-3-9(17-13(18)8(2)14)12-15-10-6-4-5-7-11(10)16-12;;/h4-9H,3,14H2,1-2H3,(H,15,16)(H,17,18);2*1H/t8-,9?;;/m1../s1
InChIKeyCQKDELURAIBJAE-QMKDJUJBSA-N
XLogP2.32
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide
CID 119836762
N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 43889855
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide
CID 95175043
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
3-acetamido-3-(1H-benzimidazol-2-yl)propanoic acid
CID 142267067
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
N-[1-(1H-benzimidazol-2-yl)pentyl]acetamide
CID 4652021
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
CID 115532400
(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylbutanamide
CID 51425732
N-[1-(1H-benzimidazol-2-yl)propyl]-2-(2-methoxyphenoxy)acetamide
CID 56824045

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride (CID 119871657) is (2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride is CCC(NC(=O)[C@@H](C)N)c1nc2ccccc2[nH]1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride?
The InChIKey is CQKDELURAIBJAE-QMKDJUJBSA-N. The full InChI is InChI=1S/C13H18N4O.2ClH/c1-3-9(17-13(18)8(2)14)12-15-10-6-4-5-7-11(10)16-12;;/h4-9H,3,14H2,1-2H3,(H,15,16)(H,17,18);2*1H/t8-,9?;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride has a molecular weight of 319.24 g/mol, XLogP of 2.32, 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-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride is sourced from PubChem (CID 119871657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).