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

C32H30Cl2N4O2 — CID 121399231

IUPAC2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide
SMILESCc1cc2nc(C(CNC(=O)c3c(Cl)cc(-c4cncc(C(C)(C)O)c4)cc3Cl)c3ccccc3)[nH]c2cc1C
InChIInChI=1S/C32H30Cl2N4O2/c1-18-10-27-28(11-19(18)2)38-30(37-27)24(20-8-6-5-7-9-20)17-36-31(39)29-25(33)13-21(14-26(29)34)22-12-23(16-35-15-22)32(3,4)40/h5-16,24,40H,17H2,1-4H3,(H,36,39)(H,37,38)
InChIKeyVZPTXISYCJOPGX-UHFFFAOYSA-N
MW573.52 g/mol
LogP7.34
Rot. Bonds7

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

2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide (PubChem CID 121399231) has the molecular formula C32H30Cl2N4O2 and a molecular weight of 573.52 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide
PubChem CID121399231
Molecular FormulaC32H30Cl2N4O2
Molecular Weight573.52 g/mol
Exact Mass572.17
IUPAC Name2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide
SMILESCc1cc2nc(C(CNC(=O)c3c(Cl)cc(-c4cncc(C(C)(C)O)c4)cc3Cl)c3ccccc3)[nH]c2cc1C
InChIInChI=1S/C32H30Cl2N4O2/c1-18-10-27-28(11-19(18)2)38-30(37-27)24(20-8-6-5-7-9-20)17-36-31(39)29-25(33)13-21(14-26(29)34)22-12-23(16-35-15-22)32(3,4)40/h5-16,24,40H,17H2,1-4H3,(H,36,39)(H,37,38)
InChIKeyVZPTXISYCJOPGX-UHFFFAOYSA-N
XLogP7.34
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.52
LogP ≤ 57.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide (CID 121399231) is 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide is Cc1cc2nc(C(CNC(=O)c3c(Cl)cc(-c4cncc(C(C)(C)O)c4)cc3Cl)c3ccccc3)[nH]c2cc1C.
What is the InChIKey of 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide?
The InChIKey is VZPTXISYCJOPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Cl2N4O2/c1-18-10-27-28(11-19(18)2)38-30(37-27)24(20-8-6-5-7-9-20)17-36-31(39)29-25(33)13-21(14-26(29)34)22-12-23(16-35-15-22)32(3,4)40/h5-16,24,40H,17H2,1-4H3,(H,36,39)(H,37,38).
What are the key properties of 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide?
2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide has a molecular weight of 573.52 g/mol, XLogP of 7.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 121399231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).