N-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine

C27H24Cl2N4S — CID 24793603

IUPACN-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Cn2c(C(C)Nc3nc(-c4ccc(C)cc4)cs3)nc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C27H24Cl2N4S/c1-16-4-8-19(9-5-16)14-33-25-13-22(29)21(28)12-23(25)31-26(33)18(3)30-27-32-24(15-34-27)20-10-6-17(2)7-11-20/h4-13,15,18H,14H2,1-3H3,(H,30,32)
InChIKeyIVLYTCLGHVRWSZ-UHFFFAOYSA-N
MW507.49 g/mol
LogP8.30
Rot. Bonds6

About N-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine

N-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 24793603) has the molecular formula C27H24Cl2N4S and a molecular weight of 507.49 g/mol. Its IUPAC name is N-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID24793603
Molecular FormulaC27H24Cl2N4S
Molecular Weight507.49 g/mol
Exact Mass506.11
IUPAC NameN-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Cn2c(C(C)Nc3nc(-c4ccc(C)cc4)cs3)nc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C27H24Cl2N4S/c1-16-4-8-19(9-5-16)14-33-25-13-22(29)21(28)12-23(25)31-26(33)18(3)30-27-32-24(15-34-27)20-10-6-17(2)7-11-20/h4-13,15,18H,14H2,1-3H3,(H,30,32)
InChIKeyIVLYTCLGHVRWSZ-UHFFFAOYSA-N
XLogP8.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.49
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine (CID 24793603) is N-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Cn2c(C(C)Nc3nc(-c4ccc(C)cc4)cs3)nc3cc(Cl)c(Cl)cc32)cc1.
What is the InChIKey of N-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is IVLYTCLGHVRWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N4S/c1-16-4-8-19(9-5-16)14-33-25-13-22(29)21(28)12-23(25)31-26(33)18(3)30-27-32-24(15-34-27)20-10-6-17(2)7-11-20/h4-13,15,18H,14H2,1-3H3,(H,30,32).
What are the key properties of N-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
N-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 507.49 g/mol, XLogP of 8.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5,6-dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24793603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).