N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide

C23H27N5O3 — CID 2970016

IUPACN-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCN(C(C)=O)CC1)n2C
InChIInChI=1S/C23H27N5O3/c1-16(29)28-12-10-27(11-13-28)15-22-25-19-14-17(8-9-20(19)26(22)2)24-23(30)18-6-4-5-7-21(18)31-3/h4-9,14H,10-13,15H2,1-3H3,(H,24,30)
InChIKeyUBFAQZOEXHIABQ-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.50
Rot. Bonds5

About N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide

N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide (PubChem CID 2970016) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
PubChem CID2970016
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCN(C(C)=O)CC1)n2C
InChIInChI=1S/C23H27N5O3/c1-16(29)28-12-10-27(11-13-28)15-22-25-19-14-17(8-9-20(19)26(22)2)24-23(30)18-6-4-5-7-21(18)31-3/h4-9,14H,10-13,15H2,1-3H3,(H,24,30)
InChIKeyUBFAQZOEXHIABQ-UHFFFAOYSA-N
XLogP2.50
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide (CID 2970016) is N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCN(C(C)=O)CC1)n2C.
What is the InChIKey of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide?
The InChIKey is UBFAQZOEXHIABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-16(29)28-12-10-27(11-13-28)15-22-25-19-14-17(8-9-20(19)26(22)2)24-23(30)18-6-4-5-7-21(18)31-3/h4-9,14H,10-13,15H2,1-3H3,(H,24,30).
What are the key properties of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide?
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide has a molecular weight of 421.50 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 2970016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).