N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide

C22H27N3O2 — CID 16972671

IUPACN-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCCCCn1c(C(C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-4-5-14-25-20-9-7-6-8-19(20)24-22(25)16(2)23-21(26)15-17-10-12-18(27-3)13-11-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyIJHHRHBJYGLLSL-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.26
Rot. Bonds8

About N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide

N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 16972671) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID16972671
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCCCCn1c(C(C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-4-5-14-25-20-9-7-6-8-19(20)24-22(25)16(2)23-21(26)15-17-10-12-18(27-3)13-11-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyIJHHRHBJYGLLSL-UHFFFAOYSA-N
XLogP4.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16972683
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971563
N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971565
2-(4-chlorophenyl)-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973111
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972591
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972820
2-(4-methoxyphenyl)-N-[1-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972747
N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969251

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide (CID 16972671) is N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide is CCCCn1c(C(C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is IJHHRHBJYGLLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-5-14-25-20-9-7-6-8-19(20)24-22(25)16(2)23-21(26)15-17-10-12-18(27-3)13-11-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16972671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).