2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide

C17H21N3O2 — CID 113081619

IUPAC2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nc2c(n1C)CCCC2
InChIInChI=1S/C17H21N3O2/c1-20-14-9-5-4-8-13(14)19-16(20)11-18-17(21)12-7-3-6-10-15(12)22-2/h3,6-7,10H,4-5,8-9,11H2,1-2H3,(H,18,21)
InChIKeyOZEDVCBJVOTLMK-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.24
Rot. Bonds4

About 2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide

2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide (PubChem CID 113081619) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
PubChem CID113081619
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nc2c(n1C)CCCC2
InChIInChI=1S/C17H21N3O2/c1-20-14-9-5-4-8-13(14)19-16(20)11-18-17(21)12-7-3-6-10-15(12)22-2/h3,6-7,10H,4-5,8-9,11H2,1-2H3,(H,18,21)
InChIKeyOZEDVCBJVOTLMK-UHFFFAOYSA-N
XLogP2.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
CID 113081654
1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea
CID 113081661
N-[[5-(2-methoxybenzoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 71836363
2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 27171286
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 17007570
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 142795437
2-methoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)benzamide
CID 118759606
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide
CID 110786150
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007646

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide (CID 113081619) is 2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide is COc1ccccc1C(=O)NCc1nc2c(n1C)CCCC2.
What is the InChIKey of 2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
The InChIKey is OZEDVCBJVOTLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20-14-9-5-4-8-13(14)19-16(20)11-18-17(21)12-7-3-6-10-15(12)22-2/h3,6-7,10H,4-5,8-9,11H2,1-2H3,(H,18,21).
What are the key properties of 2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 113081619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).