N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide

C19H21N3O2 — CID 16976665

IUPACN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
SMILESCCn1c(CCNC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C19H21N3O2/c1-3-22-17-7-5-4-6-16(17)21-18(22)12-13-20-19(23)14-8-10-15(24-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyZCTBDQMBBWZOSX-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.04
Rot. Bonds6

About N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide (PubChem CID 16976665) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
PubChem CID16976665
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
SMILESCCn1c(CCNC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C19H21N3O2/c1-3-22-17-7-5-4-6-16(17)21-18(22)12-13-20-19(23)14-8-10-15(24-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyZCTBDQMBBWZOSX-UHFFFAOYSA-N
XLogP3.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976682
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976708
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
CID 16984092
4-methoxy-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976706
4-chloro-N-[2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977241
4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976813
N-[2-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976774
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976753

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide (CID 16976665) is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide is CCn1c(CCNC(=O)c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide?
The InChIKey is ZCTBDQMBBWZOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-22-17-7-5-4-6-16(17)21-18(22)12-13-20-19(23)14-8-10-15(24-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide?
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide has a molecular weight of 323.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 16976665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).