7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine

C20H24Cl2N4O — CID 127030314

IUPAC7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine
SMILESCCN(CC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
InChIInChI=1S/C20H24Cl2N4O/c1-6-26(7-2)15-9-8-14(22)18-19(15)25(4)20(24-18)23-17-12(3)10-13(21)11-16(17)27-5/h8-11H,6-7H2,1-5H3,(H,23,24)
InChIKeyTXLZWQCECKNYNS-UHFFFAOYSA-N
MW407.35 g/mol
LogP5.79
Rot. Bonds6

About 7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine

7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine (PubChem CID 127030314) has the molecular formula C20H24Cl2N4O and a molecular weight of 407.35 g/mol. Its IUPAC name is 7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine.

Molecular Properties

Compound Name7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine
PubChem CID127030314
Molecular FormulaC20H24Cl2N4O
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine
SMILESCCN(CC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
InChIInChI=1S/C20H24Cl2N4O/c1-6-26(7-2)15-9-8-14(22)18-19(15)25(4)20(24-18)23-17-12(3)10-13(21)11-16(17)27-5/h8-11H,6-7H2,1-5H3,(H,23,24)
InChIKeyTXLZWQCECKNYNS-UHFFFAOYSA-N
XLogP5.79
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.35
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine?
The IUPAC name of 7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine (CID 127030314) is 7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine.
What is the SMILES notation for 7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine?
The canonical SMILES for 7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine is CCN(CC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12.
What is the InChIKey of 7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine?
The InChIKey is TXLZWQCECKNYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O/c1-6-26(7-2)15-9-8-14(22)18-19(15)25(4)20(24-18)23-17-12(3)10-13(21)11-16(17)27-5/h8-11H,6-7H2,1-5H3,(H,23,24).
What are the key properties of 7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine?
7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine has a molecular weight of 407.35 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methylbenzimidazole-2,4-diamine is sourced from PubChem (CID 127030314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).