N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide

C16H24N4O — CID 63002029

IUPACN-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1nc2ccccc2n1C
InChIInChI=1S/C16H24N4O/c1-4-12(2)18-16(21)9-10-17-11-15-19-13-7-5-6-8-14(13)20(15)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyJAIZEBHAXFXVFY-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.97
Rot. Bonds7

About N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide

N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide (PubChem CID 63002029) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide
PubChem CID63002029
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1nc2ccccc2n1C
InChIInChI=1S/C16H24N4O/c1-4-12(2)18-16(21)9-10-17-11-15-19-13-7-5-6-8-14(13)20(15)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyJAIZEBHAXFXVFY-UHFFFAOYSA-N
XLogP1.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.97
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

3-[[4-(benzimidazol-1-yl)phenyl]methylamino]-N-butan-2-ylpropanamide
CID 78894946
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 103641544
N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134012185
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
tert-butyl N-[1-[(1-methylbenzimidazol-2-yl)methylamino]propan-2-yl]carbamate
CID 107247403
N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide
CID 91951115
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylsulfanylethanamine
CID 62999735
N-[(1-methylbenzimidazol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632872
2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 63032804
2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
CID 17032336
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide (CID 63002029) is N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide is CCC(C)NC(=O)CCNCc1nc2ccccc2n1C.
What is the InChIKey of N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide?
The InChIKey is JAIZEBHAXFXVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-12(2)18-16(21)9-10-17-11-15-19-13-7-5-6-8-14(13)20(15)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,21).
What are the key properties of N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide?
N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide has a molecular weight of 288.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide is sourced from PubChem (CID 63002029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).