N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide

C13H18N4O — CID 43253838

IUPACN-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide
SMILESCN(CCCN)C(=O)Cn1cnc2ccccc21
InChIInChI=1S/C13H18N4O/c1-16(8-4-7-14)13(18)9-17-10-15-11-5-2-3-6-12(11)17/h2-3,5-6,10H,4,7-9,14H2,1H3
InChIKeyDSLUMZVRDNFMRD-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.84
Rot. Bonds5

About N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide

N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide (PubChem CID 43253838) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide
PubChem CID43253838
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide
SMILESCN(CCCN)C(=O)Cn1cnc2ccccc21
InChIInChI=1S/C13H18N4O/c1-16(8-4-7-14)13(18)9-17-10-15-11-5-2-3-6-12(11)17/h2-3,5-6,10H,4,7-9,14H2,1H3
InChIKeyDSLUMZVRDNFMRD-UHFFFAOYSA-N
XLogP0.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 47006781
N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide
CID 166182166
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407
2-(benzimidazol-1-yl)-N-benzyl-N-propan-2-ylacetamide
CID 16994989
2-(benzimidazol-1-yl)-N-benzyl-N-tert-butylacetamide
CID 78761759
N-butyl-N-methylbenzimidazole-1-carboxamide
CID 170699007
2-(benzimidazol-1-yl)-N-ethyl-N-(pyridin-2-ylmethyl)acetamide
CID 166221588
2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide
CID 99952062
[2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2476612
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
(3S,4R)-5-(benzimidazol-1-yl)-4-hydroxy-3-methylpentan-2-one
CID 166448813
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide (CID 43253838) is N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide is CN(CCCN)C(=O)Cn1cnc2ccccc21.
What is the InChIKey of N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide?
The InChIKey is DSLUMZVRDNFMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16(8-4-7-14)13(18)9-17-10-15-11-5-2-3-6-12(11)17/h2-3,5-6,10H,4,7-9,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide?
N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide has a molecular weight of 246.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 43253838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).