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

C20H19N3O2 — CID 17010092

IUPAC3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide
SMILESC#CCn1c(C(C)NC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C20H19N3O2/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/h1,5-11,13-14H,12H2,2-3H3,(H,21,24)
InChIKeyUXBXGGONMFBFIH-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.17
Rot. Bonds5

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

3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 17010092) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID17010092
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide
SMILESC#CCn1c(C(C)NC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C20H19N3O2/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/h1,5-11,13-14H,12H2,2-3H3,(H,21,24)
InChIKeyUXBXGGONMFBFIH-UHFFFAOYSA-N
XLogP3.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010116
3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17010091
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010098
N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010101
3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010126
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
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010157
3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010283
N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010137
N-[1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010184

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide (CID 17010092) is 3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-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-ynylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is UXBXGGONMFBFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/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/h1,5-11,13-14H,12H2,2-3H3,(H,21,24).
What are the key properties of 3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide?
3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.17, 5 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-ynylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 17010092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).