N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide

C15H22N4O — CID 52904872

IUPACN-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1CCCN(C)C
InChIInChI=1S/C15H22N4O/c1-12(20)16-11-15-17-13-7-4-5-8-14(13)19(15)10-6-9-18(2)3/h4-5,7-8H,6,9-11H2,1-3H3,(H,16,20)
InChIKeyIHCKJKKVWPVGCK-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.62
Rot. Bonds6

About N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide

N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide (PubChem CID 52904872) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide
PubChem CID52904872
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1CCCN(C)C
InChIInChI=1S/C15H22N4O/c1-12(20)16-11-15-17-13-7-4-5-8-14(13)19(15)10-6-9-18(2)3/h4-5,7-8H,6,9-11H2,1-3H3,(H,16,20)
InChIKeyIHCKJKKVWPVGCK-UHFFFAOYSA-N
XLogP1.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
N-[[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]methyl]acetamide
CID 17005978
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17006002
N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005950
N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005993
N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide
CID 17006351
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17028901
2-ethyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]butanamide
CID 17006363
2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide
CID 114526601
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide (CID 52904872) is N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide is CC(=O)NCc1nc2ccccc2n1CCCN(C)C.
What is the InChIKey of N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide?
The InChIKey is IHCKJKKVWPVGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(20)16-11-15-17-13-7-4-5-8-14(13)19(15)10-6-9-18(2)3/h4-5,7-8H,6,9-11H2,1-3H3,(H,16,20).
What are the key properties of N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide?
N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide has a molecular weight of 274.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 52904872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).