N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide

C16H24N4O2 — CID 82150228

IUPACN-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide
SMILESCOCc1nc2cc(C)c(C)cc2n1CCC(=O)NCCN
InChIInChI=1S/C16H24N4O2/c1-11-8-13-14(9-12(11)2)20(15(19-13)10-22-3)7-4-16(21)18-6-5-17/h8-9H,4-7,10,17H2,1-3H3,(H,18,21)
InChIKeyPFTSLJQOTILBQZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.26
Rot. Bonds7

About N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide

N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide (PubChem CID 82150228) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide
PubChem CID82150228
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide
SMILESCOCc1nc2cc(C)c(C)cc2n1CCC(=O)NCCN
InChIInChI=1S/C16H24N4O2/c1-11-8-13-14(9-12(11)2)20(15(19-13)10-22-3)7-4-16(21)18-6-5-17/h8-9H,4-7,10,17H2,1-3H3,(H,18,21)
InChIKeyPFTSLJQOTILBQZ-UHFFFAOYSA-N
XLogP1.26
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide
CID 82150236
3-[5,6-dimethyl-2-(propan-2-yloxymethyl)benzimidazol-1-yl]propanoic acid
CID 115949439
3-[5,6-dimethoxy-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 61365700
N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide
CID 82150232
3-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82003895
2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine
CID 82146026
3-(2-benzyl-5,6-dichlorobenzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 83284107
3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
CID 62506748
N-(2-morpholin-4-ylethyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324584
2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82146284
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516
2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145306

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide?
The IUPAC name of N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide (CID 82150228) is N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide is COCc1nc2cc(C)c(C)cc2n1CCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide?
The InChIKey is PFTSLJQOTILBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-8-13-14(9-12(11)2)20(15(19-13)10-22-3)7-4-16(21)18-6-5-17/h8-9H,4-7,10,17H2,1-3H3,(H,18,21).
What are the key properties of N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide?
N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide has a molecular weight of 304.39 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide is sourced from PubChem (CID 82150228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).