2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

C27H24Cl2N6O — CID 121399237

IUPAC2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3ccccc3)c3nc4cc(C)c(C)cc4[nH]3)c(Cl)c2)n1
InChIInChI=1S/C27H24Cl2N6O/c1-15-9-23-24(10-16(15)2)33-26(32-23)20(18-7-5-4-6-8-18)13-30-27(36)25-21(28)11-19(12-22(25)29)35-14-31-17(3)34-35/h4-12,14,20H,13H2,1-3H3,(H,30,36)(H,32,33)/t20-/m0/s1
InChIKeyROGMQNZMQLOXHY-FQEVSTJZSA-N
MW519.44 g/mol
LogP5.94
Rot. Bonds6

About 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (PubChem CID 121399237) has the molecular formula C27H24Cl2N6O and a molecular weight of 519.44 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
PubChem CID121399237
Molecular FormulaC27H24Cl2N6O
Molecular Weight519.44 g/mol
Exact Mass518.14
IUPAC Name2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3ccccc3)c3nc4cc(C)c(C)cc4[nH]3)c(Cl)c2)n1
InChIInChI=1S/C27H24Cl2N6O/c1-15-9-23-24(10-16(15)2)33-26(32-23)20(18-7-5-4-6-8-18)13-30-27(36)25-21(28)11-19(12-22(25)29)35-14-31-17(3)34-35/h4-12,14,20H,13H2,1-3H3,(H,30,36)(H,32,33)/t20-/m0/s1
InChIKeyROGMQNZMQLOXHY-FQEVSTJZSA-N
XLogP5.94
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.44
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (CID 121399237) is 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3ccccc3)c3nc4cc(C)c(C)cc4[nH]3)c(Cl)c2)n1.
What is the InChIKey of 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The InChIKey is ROGMQNZMQLOXHY-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H24Cl2N6O/c1-15-9-23-24(10-16(15)2)33-26(32-23)20(18-7-5-4-6-8-18)13-30-27(36)25-21(28)11-19(12-22(25)29)35-14-31-17(3)34-35/h4-12,14,20H,13H2,1-3H3,(H,30,36)(H,32,33)/t20-/m0/s1.
What are the key properties of 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide has a molecular weight of 519.44 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 121399237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).