6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole

C22H19N3 — CID 90095898

IUPAC6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole
SMILESCn1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc21
InChIInChI=1S/C22H19N3/c1-25-14-24-20-10-9-17(13-21(20)25)19-6-3-11-23-22(19)18-5-2-4-16(12-18)15-7-8-15/h2-6,9-15H,7-8H2,1H3
InChIKeyFWKZSRBIQIFOPI-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.18
Rot. Bonds3

About 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole

6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole (PubChem CID 90095898) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole
PubChem CID90095898
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole
SMILESCn1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc21
InChIInChI=1S/C22H19N3/c1-25-14-24-20-10-9-17(13-21(20)25)19-6-3-11-23-22(19)18-5-2-4-16(12-18)15-7-8-15/h2-6,9-15H,7-8H2,1H3
InChIKeyFWKZSRBIQIFOPI-UHFFFAOYSA-N
XLogP5.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole?
The IUPAC name of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole (CID 90095898) is 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole.
What is the SMILES notation for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole?
The canonical SMILES for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole is Cn1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc21.
What is the InChIKey of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole?
The InChIKey is FWKZSRBIQIFOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-25-14-24-20-10-9-17(13-21(20)25)19-6-3-11-23-22(19)18-5-2-4-16(12-18)15-7-8-15/h2-6,9-15H,7-8H2,1H3.
What are the key properties of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole?
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole has a molecular weight of 325.42 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole is sourced from PubChem (CID 90095898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).