N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide

C21H26N4O2 — CID 120886492

IUPACN-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
SMILESCCn1c(=O)n(CC(=O)N(CCN)CCc2ccccc2)c2ccccc21
InChIInChI=1S/C21H26N4O2/c1-2-24-18-10-6-7-11-19(18)25(21(24)27)16-20(26)23(15-13-22)14-12-17-8-4-3-5-9-17/h3-11H,2,12-16,22H2,1H3
InChIKeyDHUWNTVXCXLQRD-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.85
Rot. Bonds8

About N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide

N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 120886492) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID120886492
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
SMILESCCn1c(=O)n(CC(=O)N(CCN)CCc2ccccc2)c2ccccc21
InChIInChI=1S/C21H26N4O2/c1-2-24-18-10-6-7-11-19(18)25(21(24)27)16-20(26)23(15-13-22)14-12-17-8-4-3-5-9-17/h3-11H,2,12-16,22H2,1H3
InChIKeyDHUWNTVXCXLQRD-UHFFFAOYSA-N
XLogP1.85
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 55587797
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-(2-oxo-3H-benzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120885102
N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 134031593
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 120885487
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide
CID 120886262
N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886999
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
N-(2-aminoethyl)-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide
CID 120885504
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide
CID 167771862
N-(2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide
CID 111122153

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide (CID 120886492) is N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide is CCn1c(=O)n(CC(=O)N(CCN)CCc2ccccc2)c2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is DHUWNTVXCXLQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-2-24-18-10-6-7-11-19(18)25(21(24)27)16-20(26)23(15-13-22)14-12-17-8-4-3-5-9-17/h3-11H,2,12-16,22H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide?
N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 366.47 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 120886492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).