N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide

C28H29Cl2N5O — CID 90031315

IUPACN-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide
SMILESCc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C28H29Cl2N5O/c1-16-11-21(35-14-17(2)34(4)18(3)15-35)7-8-22(16)28(36)31-20-6-9-24(30)23(13-20)27-32-25-10-5-19(29)12-26(25)33-27/h5-13,17-18H,14-15H2,1-4H3,(H,31,36)(H,32,33)/t17-,18+
InChIKeyFSXASKXUOIXKOB-HDICACEKSA-N
MW522.48 g/mol
LogP6.63
Rot. Bonds4

About N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide

N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide (PubChem CID 90031315) has the molecular formula C28H29Cl2N5O and a molecular weight of 522.48 g/mol. Its IUPAC name is N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide
PubChem CID90031315
Molecular FormulaC28H29Cl2N5O
Molecular Weight522.48 g/mol
Exact Mass521.17
IUPAC NameN-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide
SMILESCc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C28H29Cl2N5O/c1-16-11-21(35-14-17(2)34(4)18(3)15-35)7-8-22(16)28(36)31-20-6-9-24(30)23(13-20)27-32-25-10-5-19(29)12-26(25)33-27/h5-13,17-18H,14-15H2,1-4H3,(H,31,36)(H,32,33)/t17-,18+
InChIKeyFSXASKXUOIXKOB-HDICACEKSA-N
XLogP6.63
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.48
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide
CID 90030916
2-chloro-N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide
CID 90023188
N-[4-chloro-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbenzamide
CID 90031318
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059
N-[4-chloro-3-(5-cyclopropyl-1H-imidazol-2-yl)phenyl]-3-fluoro-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide
CID 90031278
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide
CID 90031431
2-chloro-N-[4-chloro-3-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-[(3R,5R)-4-ethyl-3,5-dimethylpiperazin-1-yl]benzamide
CID 139414605
2-chloro-N-[4-chloro-3-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]-5-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide
CID 90031530
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
CID 100579998
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11502886
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide?
The IUPAC name of N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide (CID 90031315) is N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide.
What is the SMILES notation for N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide?
The canonical SMILES for N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide is Cc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(Cl)cc3[nH]2)c1.
What is the InChIKey of N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide?
The InChIKey is FSXASKXUOIXKOB-HDICACEKSA-N. The full InChI is InChI=1S/C28H29Cl2N5O/c1-16-11-21(35-14-17(2)34(4)18(3)15-35)7-8-22(16)28(36)31-20-6-9-24(30)23(13-20)27-32-25-10-5-19(29)12-26(25)33-27/h5-13,17-18H,14-15H2,1-4H3,(H,31,36)(H,32,33)/t17-,18+.
What are the key properties of N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide?
N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide has a molecular weight of 522.48 g/mol, XLogP of 6.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide is sourced from PubChem (CID 90031315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).