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

C14H20N4O — CID 115154607

IUPAC3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
SMILESCN(C(=O)C(C)(C)CN)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H20N4O/c1-14(2,8-15)13(19)18(4)10-5-6-12-11(7-10)16-9-17(12)3/h5-7,9H,8,15H2,1-4H3
InChIKeyAMDHSGBEUDUMGF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.52
Rot. Bonds3

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

3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide (PubChem CID 115154607) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
PubChem CID115154607
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
SMILESCN(C(=O)C(C)(C)CN)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H20N4O/c1-14(2,8-15)13(19)18(4)10-5-6-12-11(7-10)16-9-17(12)3/h5-7,9H,8,15H2,1-4H3
InChIKeyAMDHSGBEUDUMGF-UHFFFAOYSA-N
XLogP1.52
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-2-(methylamino)-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115165679
3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide
CID 115154935
3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115153596
ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate
CID 110869320
2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol
CID 115136919
2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide
CID 115178873
3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea
CID 110874529
N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide
CID 110869331
N,1-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 95967901
3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine
CID 115119590
N-methyl-N-(1-methylbenzimidazol-5-yl)oxolane-2-carboxamide
CID 110869282
3-(3-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea
CID 110874530

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide?
The IUPAC name of 3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide (CID 115154607) is 3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide?
The canonical SMILES for 3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide is CN(C(=O)C(C)(C)CN)c1ccc2c(c1)ncn2C.
What is the InChIKey of 3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide?
The InChIKey is AMDHSGBEUDUMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,8-15)13(19)18(4)10-5-6-12-11(7-10)16-9-17(12)3/h5-7,9H,8,15H2,1-4H3.
What are the key properties of 3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide?
3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide is sourced from PubChem (CID 115154607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).