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

C18H19N3O2 — CID 17010086

IUPAC3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2nc3ccccc3n2C)c1
InChIInChI=1S/C18H19N3O2/c1-12(17-20-15-9-4-5-10-16(15)21(17)2)19-18(22)13-7-6-8-14(11-13)23-3/h4-12H,1-3H3,(H,19,22)
InChIKeyLJJNZPRWOJRQNJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.07
Rot. Bonds4

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

3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 17010086) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID17010086
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2nc3ccccc3n2C)c1
InChIInChI=1S/C18H19N3O2/c1-12(17-20-15-9-4-5-10-16(15)21(17)2)19-18(22)13-7-6-8-14(11-13)23-3/h4-12H,1-3H3,(H,19,22)
InChIKeyLJJNZPRWOJRQNJ-UHFFFAOYSA-N
XLogP3.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214
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-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide
CID 17010092
3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17010091
3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010126
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010116
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
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
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide (CID 17010086) is 3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide is COc1cccc(C(=O)NC(C)c2nc3ccccc3n2C)c1.
What is the InChIKey of 3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is LJJNZPRWOJRQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(17-20-15-9-4-5-10-16(15)21(17)2)19-18(22)13-7-6-8-14(11-13)23-3/h4-12H,1-3H3,(H,19,22).
What are the key properties of 3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide?
3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 309.37 g/mol, XLogP of 3.07, 4 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-methylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 17010086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).