4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide

C14H20N4O — CID 63039363

IUPAC4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCn1cnc2ccccc21)C(N)=O
InChIInChI=1S/C14H20N4O/c1-10(2)17-12(14(15)19)7-8-18-9-16-11-5-3-4-6-13(11)18/h3-6,9-10,12,17H,7-8H2,1-2H3,(H2,15,19)
InChIKeyBFVSMHHIDKXCGM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.28
Rot. Bonds6

About 4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide

4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide (PubChem CID 63039363) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide
PubChem CID63039363
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCn1cnc2ccccc21)C(N)=O
InChIInChI=1S/C14H20N4O/c1-10(2)17-12(14(15)19)7-8-18-9-16-11-5-3-4-6-13(11)18/h3-6,9-10,12,17H,7-8H2,1-2H3,(H2,15,19)
InChIKeyBFVSMHHIDKXCGM-UHFFFAOYSA-N
XLogP1.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
ethyl 2-amino-4-(benzimidazol-1-yl)butanoate
CID 55144910
2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
CID 166930267
2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
CID 61247629
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
methyl 2-amino-3-(benzimidazol-1-yl)propanoate
CID 20794416
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
CID 107362610
2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate
CID 58743695
3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60554892
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide (CID 63039363) is 4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide is CC(C)NC(CCn1cnc2ccccc21)C(N)=O.
What is the InChIKey of 4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide?
The InChIKey is BFVSMHHIDKXCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)17-12(14(15)19)7-8-18-9-16-11-5-3-4-6-13(11)18/h3-6,9-10,12,17H,7-8H2,1-2H3,(H2,15,19).
What are the key properties of 4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide?
4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide has a molecular weight of 260.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63039363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).