2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide

C15H22N4O — CID 61247629

IUPAC2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C15H22N4O/c1-11(2)14(16)15(20)17-8-5-9-19-10-18-12-6-3-4-7-13(12)19/h3-4,6-7,10-11,14H,5,8-9,16H2,1-2H3,(H,17,20)
InChIKeyLANAVURGNIMOEK-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.53
Rot. Bonds6

About 2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide

2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide (PubChem CID 61247629) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
PubChem CID61247629
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C15H22N4O/c1-11(2)14(16)15(20)17-8-5-9-19-10-18-12-6-3-4-7-13(12)19/h3-4,6-7,10-11,14H,5,8-9,16H2,1-2H3,(H,17,20)
InChIKeyLANAVURGNIMOEK-UHFFFAOYSA-N
XLogP1.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
N-[1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51222009
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 75866987
4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride
CID 120594808
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 61250242
benzyl N-[(2S,3S)-1-[3-(benzimidazol-1-yl)propylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 55937819
(2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide
CID 40718916
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
(E)-4-[3-(benzimidazol-1-yl)propylamino]-4-oxobut-2-enoic acid
CID 60940726
1-[3-(benzimidazol-1-yl)propyl]-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120857

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide (CID 61247629) is 2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide is CC(C)C(N)C(=O)NCCCn1cnc2ccccc21.
What is the InChIKey of 2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide?
The InChIKey is LANAVURGNIMOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)14(16)15(20)17-8-5-9-19-10-18-12-6-3-4-7-13(12)19/h3-4,6-7,10-11,14H,5,8-9,16H2,1-2H3,(H,17,20).
What are the key properties of 2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide?
2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide has a molecular weight of 274.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide is sourced from PubChem (CID 61247629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).