2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

C19H21N3O2 — CID 17007570

IUPAC2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCn1c(CNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C19H21N3O2/c1-3-12-22-16-10-6-5-9-15(16)21-18(22)13-20-19(23)14-8-4-7-11-17(14)24-2/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyQASAGQCYFUYTFT-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.38
Rot. Bonds6

About 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 17007570) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
PubChem CID17007570
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCn1c(CNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C19H21N3O2/c1-3-12-22-16-10-6-5-9-15(16)21-18(22)13-20-19(23)14-8-4-7-11-17(14)24-2/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyQASAGQCYFUYTFT-UHFFFAOYSA-N
XLogP3.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007722
2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007646
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007688
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007684
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
CID 4753688
2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007607
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007602
2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990094
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide
CID 16990090

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (CID 17007570) is 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is CCCn1c(CNC(=O)c2ccccc2OC)nc2ccccc21.
What is the InChIKey of 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is QASAGQCYFUYTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-12-22-16-10-6-5-9-15(16)21-18(22)13-20-19(23)14-8-4-7-11-17(14)24-2/h4-11H,3,12-13H2,1-2H3,(H,20,23).
What are the key properties of 2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.38, 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-propylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 17007570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).