N-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide

C16H24N4O2 — CID 144530577

IUPACN-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide
SMILESCOCCCn1c(N)nc2cc(N(C)C(=O)C(C)C)ccc21
InChIInChI=1S/C16H24N4O2/c1-11(2)15(21)19(3)12-6-7-14-13(10-12)18-16(17)20(14)8-5-9-22-4/h6-7,10-11H,5,8-9H2,1-4H3,(H2,17,18)
InChIKeyZCWSHNSIJDTELC-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.27
Rot. Bonds6

About N-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide

N-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide (PubChem CID 144530577) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide
PubChem CID144530577
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide
SMILESCOCCCn1c(N)nc2cc(N(C)C(=O)C(C)C)ccc21
InChIInChI=1S/C16H24N4O2/c1-11(2)15(21)19(3)12-6-7-14-13(10-12)18-16(17)20(14)8-5-9-22-4/h6-7,10-11H,5,8-9H2,1-4H3,(H2,17,18)
InChIKeyZCWSHNSIJDTELC-UHFFFAOYSA-N
XLogP2.27
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-benzimidazol-1-yl)propanamide
CID 639428
N-(2-methyl-1-phenylbenzimidazol-5-yl)acetamide
CID 739312
5-[1-(1,3-Dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one
CID 122512239
2-[(1-Methyl-1h-Benzimidazol-2-Yl)methyl]-6-Morpholin-4-Ylpyrimidin-4(3h)-One
CID 135566644
1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S)-piperidin-3-yl]benzimidazole-2-carboxamide
CID 58355440
1-[4-[(1-Methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 938744
N-[1-(2-methylphenyl)benzimidazol-5-yl]propanamide
CID 949472
N-(1-heptylbenzimidazol-2-yl)propanamide
CID 3844957
1-{4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}butan-1-one
CID 4886315
N-(1-phenylbenzimidazol-5-yl)acetamide
CID 739378
N-(1-phenyl-1H-benzimidazol-5-yl)propanamide
CID 948973
3-(2-methyl-1H-1,3-benzodiazol-1-yl)propanamide
CID 225773

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide?
The IUPAC name of N-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide (CID 144530577) is N-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide is COCCCn1c(N)nc2cc(N(C)C(=O)C(C)C)ccc21.
What is the InChIKey of N-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide?
The InChIKey is ZCWSHNSIJDTELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)15(21)19(3)12-6-7-14-13(10-12)18-16(17)20(14)8-5-9-22-4/h6-7,10-11H,5,8-9H2,1-4H3,(H2,17,18).
What are the key properties of N-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide?
N-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-methoxypropyl)benzimidazol-5-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 144530577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).