3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide

C13H18N4O — CID 115153596

IUPAC3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
SMILESCC(CN)C(=O)N(C)c1ccc2c(c1)ncn2C
InChIInChI=1S/C13H18N4O/c1-9(7-14)13(18)17(3)10-4-5-12-11(6-10)15-8-16(12)2/h4-6,8-9H,7,14H2,1-3H3
InChIKeyBTTLSGOCFQYOPA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.13
Rot. Bonds3

About 3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide

3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide (PubChem CID 115153596) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
PubChem CID115153596
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
SMILESCC(CN)C(=O)N(C)c1ccc2c(c1)ncn2C
InChIInChI=1S/C13H18N4O/c1-9(7-14)13(18)17(3)10-4-5-12-11(6-10)15-8-16(12)2/h4-6,8-9H,7,14H2,1-3H3
InChIKeyBTTLSGOCFQYOPA-UHFFFAOYSA-N
XLogP1.13
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 1540408
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3-(1H-benzimidazol-1-yl)propanamide
CID 639428
N-(2-methyl-1-phenylbenzimidazol-5-yl)acetamide
CID 739312
2-(1H-1,3-benzodiazol-1-yl)ethan-1-amine
CID 41504
1-phenyl-1H-1,3-benzodiazol-5-amine
CID 965312
1-methyl-1H-1,3-benzodiazol-5-amine
CID 315499
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
3-(2-methyl-1H-1,3-benzodiazol-1-yl)propanamide
CID 225773

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide (CID 115153596) is 3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide is CC(CN)C(=O)N(C)c1ccc2c(c1)ncn2C.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide?
The InChIKey is BTTLSGOCFQYOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(7-14)13(18)17(3)10-4-5-12-11(6-10)15-8-16(12)2/h4-6,8-9H,7,14H2,1-3H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide?
3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide has a molecular weight of 246.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide is sourced from PubChem (CID 115153596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).