4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol

C17H25N3O — CID 79754553

IUPAC4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C17H25N3O/c1-13(2)20-10-8-17(21,9-11-20)12-16-18-14-6-4-5-7-15(14)19(16)3/h4-7,13,21H,8-12H2,1-3H3
InChIKeyAWRNWDPVJVDKPJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.35
Rot. Bonds3

About 4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol

4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol (PubChem CID 79754553) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol
PubChem CID79754553
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)(Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C17H25N3O/c1-13(2)20-10-8-17(21,9-11-20)12-16-18-14-6-4-5-7-15(14)19(16)3/h4-7,13,21H,8-12H2,1-3H3
InChIKeyAWRNWDPVJVDKPJ-UHFFFAOYSA-N
XLogP2.35
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol
CID 103982830
3-[(1-methylbenzimidazol-2-yl)methyl]-1,1-dioxothiolan-3-ol
CID 79753747
3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823868
2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol
CID 79754404
1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79753321
1-[1-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]cycloheptan-1-ol
CID 103452132
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 103564206
2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61070767
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol (CID 79754553) is 4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(O)(Cc2nc3ccccc3n2C)CC1.
What is the InChIKey of 4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol?
The InChIKey is AWRNWDPVJVDKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)20-10-8-17(21,9-11-20)12-16-18-14-6-4-5-7-15(14)19(16)3/h4-7,13,21H,8-12H2,1-3H3.
What are the key properties of 4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol?
4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol has a molecular weight of 287.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 79754553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).