N-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide

C22H26Cl2N4O2 — CID 70909662

IUPACN-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12)C(C)C
InChIInChI=1S/C22H26Cl2N4O2/c1-7-18(29)28(12(2)3)16-9-8-15(24)20-21(16)27(5)22(26-20)25-19-13(4)10-14(23)11-17(19)30-6/h8-12H,7H2,1-6H3,(H,25,26)
InChIKeyBILLKKQBFCCLFN-UHFFFAOYSA-N
MW449.38 g/mol
LogP6.09
Rot. Bonds6

About N-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide

N-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide (PubChem CID 70909662) has the molecular formula C22H26Cl2N4O2 and a molecular weight of 449.38 g/mol. Its IUPAC name is N-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide
PubChem CID70909662
Molecular FormulaC22H26Cl2N4O2
Molecular Weight449.38 g/mol
Exact Mass448.14
IUPAC NameN-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12)C(C)C
InChIInChI=1S/C22H26Cl2N4O2/c1-7-18(29)28(12(2)3)16-9-8-15(24)20-21(16)27(5)22(26-20)25-19-13(4)10-14(23)11-17(19)30-6/h8-12H,7H2,1-6H3,(H,25,26)
InChIKeyBILLKKQBFCCLFN-UHFFFAOYSA-N
XLogP6.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide?
The IUPAC name of N-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide (CID 70909662) is N-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for N-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide is CCC(=O)N(c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12)C(C)C.
What is the InChIKey of N-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide?
The InChIKey is BILLKKQBFCCLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O2/c1-7-18(29)28(12(2)3)16-9-8-15(24)20-21(16)27(5)22(26-20)25-19-13(4)10-14(23)11-17(19)30-6/h8-12H,7H2,1-6H3,(H,25,26).
What are the key properties of N-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide?
N-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide has a molecular weight of 449.38 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-chloro-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 70909662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).