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

C23H29N5O2 — CID 46263374

IUPACN-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
SMILESCCN1CCN(Cc2nc3cc(NC(=O)c4ccc(OC)cc4)ccc3n2C)CC1
InChIInChI=1S/C23H29N5O2/c1-4-27-11-13-28(14-12-27)16-22-25-20-15-18(7-10-21(20)26(22)2)24-23(29)17-5-8-19(30-3)9-6-17/h5-10,15H,4,11-14,16H2,1-3H3,(H,24,29)
InChIKeyDJSGEGKDZSAZTC-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.97
Rot. Bonds6

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

N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide (PubChem CID 46263374) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
PubChem CID46263374
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
SMILESCCN1CCN(Cc2nc3cc(NC(=O)c4ccc(OC)cc4)ccc3n2C)CC1
InChIInChI=1S/C23H29N5O2/c1-4-27-11-13-28(14-12-27)16-22-25-20-15-18(7-10-21(20)26(22)2)24-23(29)17-5-8-19(30-3)9-6-17/h5-10,15H,4,11-14,16H2,1-3H3,(H,24,29)
InChIKeyDJSGEGKDZSAZTC-UHFFFAOYSA-N
XLogP2.97
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 46263404
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46263370
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 4888718
3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236037
4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236030
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenoxy)acetamide;hydrochloride
CID 16682075
4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-nitrobenzamide
CID 4970832
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238
N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 4887664
4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide
CID 7005485
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]-4-nitrobenzamide
CID 29093176

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide (CID 46263374) is N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide is CCN1CCN(Cc2nc3cc(NC(=O)c4ccc(OC)cc4)ccc3n2C)CC1.
What is the InChIKey of N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide?
The InChIKey is DJSGEGKDZSAZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-4-27-11-13-28(14-12-27)16-22-25-20-15-18(7-10-21(20)26(22)2)24-23(29)17-5-8-19(30-3)9-6-17/h5-10,15H,4,11-14,16H2,1-3H3,(H,24,29).
What are the key properties of N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide?
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide has a molecular weight of 407.52 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide is sourced from PubChem (CID 46263374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).