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

C20H21N3O2 — CID 4201077

IUPAC2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
SMILESC=CCn1c(C(C)NC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C20H21N3O2/c1-4-13-23-17-11-7-6-10-16(17)22-19(23)14(2)21-20(24)15-9-5-8-12-18(15)25-3/h4-12,14H,1,13H2,2-3H3,(H,21,24)
InChIKeyQFUVQXLVRVNADC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.72
Rot. Bonds6

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

2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 4201077) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID4201077
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
SMILESC=CCn1c(C(C)NC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C20H21N3O2/c1-4-13-23-17-11-7-6-10-16(17)22-19(23)14(2)21-20(24)15-9-5-8-12-18(15)25-3/h4-12,14H,1,13H2,2-3H3,(H,21,24)
InChIKeyQFUVQXLVRVNADC-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

N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16967951
2-methoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16968045
4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 751224
3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17010091
N-[1-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16967966
4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17009306
N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16968068
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969979
2-methoxy-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 121240654
N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967516
3,4,5-trimethoxy-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009818
N-[1-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16967862

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide (CID 4201077) is 2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide is C=CCn1c(C(C)NC(=O)c2ccccc2OC)nc2ccccc21.
What is the InChIKey of 2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is QFUVQXLVRVNADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-13-23-17-11-7-6-10-16(17)22-19(23)14(2)21-20(24)15-9-5-8-12-18(15)25-3/h4-12,14H,1,13H2,2-3H3,(H,21,24).
What are the key properties of 2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
2-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 2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 4201077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).