3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide

C20H21N3O2 — CID 17010091

IUPAC3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
SMILESC=CCn1c(C(C)NC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C20H21N3O2/c1-4-12-23-18-11-6-5-10-17(18)22-19(23)14(2)21-20(24)15-8-7-9-16(13-15)25-3/h4-11,13-14H,1,12H2,2-3H3,(H,21,24)
InChIKeyUZHNPFBUBQLIGN-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.72
Rot. Bonds6

About 3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide

3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 17010091) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID17010091
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
SMILESC=CCn1c(C(C)NC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C20H21N3O2/c1-4-12-23-18-11-6-5-10-17(18)22-19(23)14(2)21-20(24)15-8-7-9-16(13-15)25-3/h4-11,13-14H,1,12H2,2-3H3,(H,21,24)
InChIKeyUZHNPFBUBQLIGN-UHFFFAOYSA-N
XLogP3.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214
3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010126
3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide
CID 17010092
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010098
N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010101
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010116
3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 17010086
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010239
2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 4201077
4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17009306
4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 751224
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010157

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide (CID 17010091) is 3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide is C=CCn1c(C(C)NC(=O)c2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of 3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is UZHNPFBUBQLIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-12-23-18-11-6-5-10-17(18)22-19(23)14(2)21-20(24)15-8-7-9-16(13-15)25-3/h4-11,13-14H,1,12H2,2-3H3,(H,21,24).
What are the key properties of 3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 17010091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).