[1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol

C22H21N3O — CID 72700063

IUPAC[1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol
SMILESCc1ccc(C)c(Cn2c(CO)nc3ccc(-c4ccncc4)cc32)c1
InChIInChI=1S/C22H21N3O/c1-15-3-4-16(2)19(11-15)13-25-21-12-18(17-7-9-23-10-8-17)5-6-20(21)24-22(25)14-26/h3-12,26H,13-14H2,1-2H3
InChIKeyBOHIQGRMHZMIJR-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.26
Rot. Bonds4

About [1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol

[1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol (PubChem CID 72700063) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is [1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol
PubChem CID72700063
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name[1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol
SMILESCc1ccc(C)c(Cn2c(CO)nc3ccc(-c4ccncc4)cc32)c1
InChIInChI=1S/C22H21N3O/c1-15-3-4-16(2)19(11-15)13-25-21-12-18(17-7-9-23-10-8-17)5-6-20(21)24-22(25)14-26/h3-12,26H,13-14H2,1-2H3
InChIKeyBOHIQGRMHZMIJR-UHFFFAOYSA-N
XLogP4.26
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol?
The IUPAC name of [1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol (CID 72700063) is [1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol?
The canonical SMILES for [1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol is Cc1ccc(C)c(Cn2c(CO)nc3ccc(-c4ccncc4)cc32)c1.
What is the InChIKey of [1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol?
The InChIKey is BOHIQGRMHZMIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15-3-4-16(2)19(11-15)13-25-21-12-18(17-7-9-23-10-8-17)5-6-20(21)24-22(25)14-26/h3-12,26H,13-14H2,1-2H3.
What are the key properties of [1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol?
[1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol has a molecular weight of 343.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylphenyl)methyl]-6-pyridin-4-ylbenzimidazol-2-yl]methanol is sourced from PubChem (CID 72700063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).