N-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride

C24H23Cl3N4O2 — CID 68581997

IUPACN-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride
SMILESCOc1cc(Cl)cc(C)c1Nc1nc2cccc(N(C(C)=O)c3ccc(Cl)cc3)c2n1C.Cl
InChIInChI=1S/C24H22Cl2N4O2.ClH/c1-14-12-17(26)13-21(32-4)22(14)28-24-27-19-6-5-7-20(23(19)29(24)3)30(15(2)31)18-10-8-16(25)9-11-18;/h5-13H,1-4H3,(H,27,28);1H
InChIKeyXXZBXXCAFHNQJI-UHFFFAOYSA-N
MW505.83 g/mol
LogP7.05
Rot. Bonds5

About N-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride

N-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride (PubChem CID 68581997) has the molecular formula C24H23Cl3N4O2 and a molecular weight of 505.83 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride
PubChem CID68581997
Molecular FormulaC24H23Cl3N4O2
Molecular Weight505.83 g/mol
Exact Mass504.09
IUPAC NameN-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride
SMILESCOc1cc(Cl)cc(C)c1Nc1nc2cccc(N(C(C)=O)c3ccc(Cl)cc3)c2n1C.Cl
InChIInChI=1S/C24H22Cl2N4O2.ClH/c1-14-12-17(26)13-21(32-4)22(14)28-24-27-19-6-5-7-20(23(19)29(24)3)30(15(2)31)18-10-8-16(25)9-11-18;/h5-13H,1-4H3,(H,27,28);1H
InChIKeyXXZBXXCAFHNQJI-UHFFFAOYSA-N
XLogP7.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.83
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride?
The IUPAC name of N-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride (CID 68581997) is N-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride is COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(C(C)=O)c3ccc(Cl)cc3)c2n1C.Cl.
What is the InChIKey of N-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride?
The InChIKey is XXZBXXCAFHNQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O2.ClH/c1-14-12-17(26)13-21(32-4)22(14)28-24-27-19-6-5-7-20(23(19)29(24)3)30(15(2)31)18-10-8-16(25)9-11-18;/h5-13H,1-4H3,(H,27,28);1H.
What are the key properties of N-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride?
N-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride has a molecular weight of 505.83 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-(4-chlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 68581997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).