N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide

C20H21N3O2 — CID 16969979

IUPACN-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1OC
InChIInChI=1S/C20H21N3O2/c1-4-19(24)21-14(2)20-22-16-10-6-7-11-17(16)23(20)13-15-9-5-8-12-18(15)25-3/h4-12,14H,1,13H2,2-3H3,(H,21,24)
InChIKeyAAEJAXZOAMYIBO-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.46
Rot. Bonds6

About N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide

N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide (PubChem CID 16969979) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
PubChem CID16969979
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1OC
InChIInChI=1S/C20H21N3O2/c1-4-19(24)21-14(2)20-22-16-10-6-7-11-17(16)23(20)13-15-9-5-8-12-18(15)25-3/h4-12,14H,1,13H2,2-3H3,(H,21,24)
InChIKeyAAEJAXZOAMYIBO-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968736
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969940
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
N-[1-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969973
N-[1-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970050
N-[1-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969981
2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 4201077
N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16969944
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970012
N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969998
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970027
N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969986

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The IUPAC name of N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide (CID 16969979) is N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide is C=CC(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1OC.
What is the InChIKey of N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
The InChIKey is AAEJAXZOAMYIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-19(24)21-14(2)20-22-16-10-6-7-11-17(16)23(20)13-15-9-5-8-12-18(15)25-3/h4-12,14H,1,13H2,2-3H3,(H,21,24).
What are the key properties of N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide?
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide has a molecular weight of 335.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 16969979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).