N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide

C24H28ClN5O — CID 70998929

IUPACN-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1-c1cncn1C
InChIInChI=1S/C24H28ClN5O/c1-17-4-5-18(12-21(17)23-14-26-16-29(23)3)24(31)27-20-7-6-19(22(25)13-20)15-30-10-8-28(2)9-11-30/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,27,31)
InChIKeyHOLWVUOTIXMLIZ-UHFFFAOYSA-N
MW437.98 g/mol
LogP4.05
Rot. Bonds5

About N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide

N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide (PubChem CID 70998929) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide
PubChem CID70998929
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC NameN-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1-c1cncn1C
InChIInChI=1S/C24H28ClN5O/c1-17-4-5-18(12-21(17)23-14-26-16-29(23)3)24(31)27-20-7-6-19(22(25)13-20)15-30-10-8-28(2)9-11-30/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,27,31)
InChIKeyHOLWVUOTIXMLIZ-UHFFFAOYSA-N
XLogP4.05
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-iodo-4-methylphenyl)-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 129061283
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-quinazolin-6-ylbenzamide
CID 11606053
N-[3-(aminomethyl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 141408826
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110859280
2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]benzamide
CID 118558238
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-pyrimidin-5-ylethynyl)benzamide
CID 24871562
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 11606245
N-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methylbenzamide
CID 175779781
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-pyridin-4-ylethynyl)benzamide
CID 130396044
4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide
CID 157278189
3-[2-(4-fluoroanilino)quinazolin-6-yl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 176903602
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59279401

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide?
The IUPAC name of N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide (CID 70998929) is N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide.
What is the SMILES notation for N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide?
The canonical SMILES for N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide is Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1-c1cncn1C.
What is the InChIKey of N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide?
The InChIKey is HOLWVUOTIXMLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-17-4-5-18(12-21(17)23-14-26-16-29(23)3)24(31)27-20-7-6-19(22(25)13-20)15-30-10-8-28(2)9-11-30/h4-7,12-14,16H,8-11,15H2,1-3H3,(H,27,31).
What are the key properties of N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide?
N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide has a molecular weight of 437.98 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(3-methylimidazol-4-yl)benzamide is sourced from PubChem (CID 70998929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).