N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide

C23H29N5O — CID 46263370

IUPACN-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
SMILESCCN1CCN(Cc2nc3cc(NC(=O)c4cccc(C)c4)ccc3n2C)CC1
InChIInChI=1S/C23H29N5O/c1-4-27-10-12-28(13-11-27)16-22-25-20-15-19(8-9-21(20)26(22)3)24-23(29)18-7-5-6-17(2)14-18/h5-9,14-15H,4,10-13,16H2,1-3H3,(H,24,29)
InChIKeyNHXXADRENPSHFR-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.27
Rot. Bonds5

About N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide

N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide (PubChem CID 46263370) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
PubChem CID46263370
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
SMILESCCN1CCN(Cc2nc3cc(NC(=O)c4cccc(C)c4)ccc3n2C)CC1
InChIInChI=1S/C23H29N5O/c1-4-27-10-12-28(13-11-27)16-22-25-20-15-19(8-9-21(20)26(22)3)24-23(29)18-7-5-6-17(2)14-18/h5-9,14-15H,4,10-13,16H2,1-3H3,(H,24,29)
InChIKeyNHXXADRENPSHFR-UHFFFAOYSA-N
XLogP3.27
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 46263374
3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236159
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
CID 4890224
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 17218650
4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236030
N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46270391
N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-3-nitrobenzamide
CID 17236129
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
CID 4888721
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236037
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-nitrobenzamide
CID 4970832

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide?
The IUPAC name of N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide (CID 46263370) is N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide?
The canonical SMILES for N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide is CCN1CCN(Cc2nc3cc(NC(=O)c4cccc(C)c4)ccc3n2C)CC1.
What is the InChIKey of N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide?
The InChIKey is NHXXADRENPSHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-4-27-10-12-28(13-11-27)16-22-25-20-15-19(8-9-21(20)26(22)3)24-23(29)18-7-5-6-17(2)14-18/h5-9,14-15H,4,10-13,16H2,1-3H3,(H,24,29).
What are the key properties of N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide?
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide has a molecular weight of 391.52 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide is sourced from PubChem (CID 46263370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).