1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole

C26H31N3 — CID 118444759

IUPAC1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole
SMILESCc1ccnc(C)c1N1CN(c2c(C(C)C)cccc2C(C)C)c2ccccc21
InChIInChI=1S/C26H31N3/c1-17(2)21-10-9-11-22(18(3)4)26(21)29-16-28(23-12-7-8-13-24(23)29)25-19(5)14-15-27-20(25)6/h7-15,17-18H,16H2,1-6H3
InChIKeyGNTFNXVURPFGQR-UHFFFAOYSA-N
MW385.56 g/mol
LogP7.19
Rot. Bonds4

About 1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole

1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole (PubChem CID 118444759) has the molecular formula C26H31N3 and a molecular weight of 385.56 g/mol. Its IUPAC name is 1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole.

Molecular Properties

Compound Name1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole
PubChem CID118444759
Molecular FormulaC26H31N3
Molecular Weight385.56 g/mol
Exact Mass385.25
IUPAC Name1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole
SMILESCc1ccnc(C)c1N1CN(c2c(C(C)C)cccc2C(C)C)c2ccccc21
InChIInChI=1S/C26H31N3/c1-17(2)21-10-9-11-22(18(3)4)26(21)29-16-28(23-12-7-8-13-24(23)29)25-19(5)14-15-27-20(25)6/h7-15,17-18H,16H2,1-6H3
InChIKeyGNTFNXVURPFGQR-UHFFFAOYSA-N
XLogP7.19
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.56
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole?
The IUPAC name of 1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole (CID 118444759) is 1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole.
What is the SMILES notation for 1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole?
The canonical SMILES for 1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole is Cc1ccnc(C)c1N1CN(c2c(C(C)C)cccc2C(C)C)c2ccccc21.
What is the InChIKey of 1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole?
The InChIKey is GNTFNXVURPFGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3/c1-17(2)21-10-9-11-22(18(3)4)26(21)29-16-28(23-12-7-8-13-24(23)29)25-19(5)14-15-27-20(25)6/h7-15,17-18H,16H2,1-6H3.
What are the key properties of 1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole?
1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole has a molecular weight of 385.56 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole is sourced from PubChem (CID 118444759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).