N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide

C14H20N4O — CID 115165772

IUPACN-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)N(C)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C14H20N4O/c1-14(2,15-3)13(19)18(4)8-10-5-6-11-12(7-10)17-9-16-11/h5-7,9,15H,8H2,1-4H3,(H,16,17)
InChIKeyCKMBSPBWVHVDCT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.52
Rot. Bonds4

About N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide

N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide (PubChem CID 115165772) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide
PubChem CID115165772
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)N(C)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C14H20N4O/c1-14(2,15-3)13(19)18(4)8-10-5-6-11-12(7-10)17-9-16-11/h5-7,9,15H,8H2,1-4H3,(H,16,17)
InChIKeyCKMBSPBWVHVDCT-UHFFFAOYSA-N
XLogP1.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303
N-(3H-benzimidazol-5-ylmethyl)-2-cyano-N-methylacetamide
CID 115173212
methyl 3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoate
CID 115232458
methyl 2-[3H-benzimidazol-5-ylmethyl(methyl)amino]acetate
CID 115232977
3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 115161615
methyl 3-(3H-benzimidazol-5-yl)-2,2-dimethylpropanoate
CID 116927586
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-1-ol
CID 115217708
N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
CID 117044066
1-(3H-benzimidazol-5-ylmethyl)-3-tert-butylurea
CID 110775445
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 62847623

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide (CID 115165772) is N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)N(C)Cc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide?
The InChIKey is CKMBSPBWVHVDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,15-3)13(19)18(4)8-10-5-6-11-12(7-10)17-9-16-11/h5-7,9,15H,8H2,1-4H3,(H,16,17).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide?
N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide is sourced from PubChem (CID 115165772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).