4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol

C20H22FN3O — CID 71649355

IUPAC4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O/c21-15-7-5-14(6-8-15)13-24-19-4-2-1-3-18(19)23-20(24)22-16-9-11-17(25)12-10-16/h1-8,16-17,25H,9-13H2,(H,22,23)
InChIKeyZIMHROYGZQSVDW-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.94
Rot. Bonds4

About 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol

4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 71649355) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
PubChem CID71649355
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O/c21-15-7-5-14(6-8-15)13-24-19-4-2-1-3-18(19)23-20(24)22-16-9-11-17(25)12-10-16/h1-8,16-17,25H,9-13H2,(H,22,23)
InChIKeyZIMHROYGZQSVDW-UHFFFAOYSA-N
XLogP3.94
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649347
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891742
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
N-[1-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-ylidene]hydroxylamine
CID 151889884
N-[1-(4-aminobutyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine;trihydrochloride
CID 156621011
[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-phenoxyphosphinic acid
CID 58600456
N-[1-(3-anilinopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891570
1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649354
4-[[1-[(2,5-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649349
[4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 164611895

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol (CID 71649355) is 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol?
The InChIKey is ZIMHROYGZQSVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-15-7-5-14(6-8-15)13-24-19-4-2-1-3-18(19)23-20(24)22-16-9-11-17(25)12-10-16/h1-8,16-17,25H,9-13H2,(H,22,23).
What are the key properties of 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol?
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol has a molecular weight of 339.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 71649355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).