4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide

C22H27N4O3+ — CID 7005485

IUPAC4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCOCC2)n3C)cc1
InChIInChI=1S/C22H26N4O3/c1-25-20-8-5-17(23-22(27)16-3-6-18(28-2)7-4-16)15-19(20)24-21(25)9-10-26-11-13-29-14-12-26/h3-8,15H,9-14H2,1-2H3,(H,23,27)/p+1
InChIKeyVELYHKSFVKOWOG-UHFFFAOYSA-O
MW395.48 g/mol
LogP1.29
Rot. Bonds6

About 4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide

4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide (PubChem CID 7005485) has the molecular formula C22H27N4O3+ and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide
PubChem CID7005485
Molecular FormulaC22H27N4O3+
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCOCC2)n3C)cc1
InChIInChI=1S/C22H26N4O3/c1-25-20-8-5-17(23-22(27)16-3-6-18(28-2)7-4-16)15-19(20)24-21(25)9-10-26-11-13-29-14-12-26/h3-8,15H,9-14H2,1-2H3,(H,23,27)/p+1
InChIKeyVELYHKSFVKOWOG-UHFFFAOYSA-O
XLogP1.29
TPSA69.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
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4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
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CID 46328940
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
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4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide
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2-(4-chlorophenoxy)-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide
CID 666438
N-(3,5-dimethoxyphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24688078
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide (CID 7005485) is 4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide is COc1ccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCOCC2)n3C)cc1.
What is the InChIKey of 4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide?
The InChIKey is VELYHKSFVKOWOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N4O3/c1-25-20-8-5-17(23-22(27)16-3-6-18(28-2)7-4-16)15-19(20)24-21(25)9-10-26-11-13-29-14-12-26/h3-8,15H,9-14H2,1-2H3,(H,23,27)/p+1.
What are the key properties of 4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide?
4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide has a molecular weight of 395.48 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide is sourced from PubChem (CID 7005485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).