3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide

C21H26N4O — CID 119866298

IUPAC3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCCn1c(CCNC(=O)C(C)C(N)c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H26N4O/c1-3-25-18-12-8-7-11-17(18)24-19(25)13-14-23-21(26)15(2)20(22)16-9-5-4-6-10-16/h4-12,15,20H,3,13-14,22H2,1-2H3,(H,23,26)
InChIKeyBJPMOUWAJUCHIQ-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.05
Rot. Bonds7

About 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide

3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide (PubChem CID 119866298) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide
PubChem CID119866298
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCCn1c(CCNC(=O)C(C)C(N)c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H26N4O/c1-3-25-18-12-8-7-11-17(18)24-19(25)13-14-23-21(26)15(2)20(22)16-9-5-4-6-10-16/h4-12,15,20H,3,13-14,22H2,1-2H3,(H,23,26)
InChIKeyBJPMOUWAJUCHIQ-UHFFFAOYSA-N
XLogP3.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866331
3-amino-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119889914
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119866315
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131940714
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341
7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide
CID 119866274
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 55429806
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide (CID 119866298) is 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide is CCn1c(CCNC(=O)C(C)C(N)c2ccccc2)nc2ccccc21.
What is the InChIKey of 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide?
The InChIKey is BJPMOUWAJUCHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-25-18-12-8-7-11-17(18)24-19(25)13-14-23-21(26)15(2)20(22)16-9-5-4-6-10-16/h4-12,15,20H,3,13-14,22H2,1-2H3,(H,23,26).
What are the key properties of 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide has a molecular weight of 350.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119866298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).