5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol

C20H25N3O — CID 111448746

IUPAC5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol
SMILESCC(O)CC(C)CNCc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C20H25N3O/c1-15(11-16(2)24)12-21-13-17-7-9-18(10-8-17)23-14-22-19-5-3-4-6-20(19)23/h3-10,14-16,21,24H,11-13H2,1-2H3
InChIKeyOXDBRBADZMWWOU-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.52
Rot. Bonds7

About 5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol

5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol (PubChem CID 111448746) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol
PubChem CID111448746
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol
SMILESCC(O)CC(C)CNCc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C20H25N3O/c1-15(11-16(2)24)12-21-13-17-7-9-18(10-8-17)23-14-22-19-5-3-4-6-20(19)23/h3-10,14-16,21,24H,11-13H2,1-2H3
InChIKeyOXDBRBADZMWWOU-UHFFFAOYSA-N
XLogP3.52
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(benzimidazol-1-yl)phenyl]methylamino]-N-butan-2-ylpropanamide
CID 78894946
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
CID 55237590
(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 52535721
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine
CID 17446168
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49133984
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119760560
3-[[[4-(benzimidazol-1-yl)phenyl]methylamino]methyl]thiolan-3-ol
CID 111629711
1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine
CID 78870397
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
CID 119834374
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
CID 25323496

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol?
The IUPAC name of 5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol (CID 111448746) is 5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol?
The canonical SMILES for 5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol is CC(O)CC(C)CNCc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol?
The InChIKey is OXDBRBADZMWWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(11-16(2)24)12-21-13-17-7-9-18(10-8-17)23-14-22-19-5-3-4-6-20(19)23/h3-10,14-16,21,24H,11-13H2,1-2H3.
What are the key properties of 5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol?
5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol has a molecular weight of 323.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol is sourced from PubChem (CID 111448746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).