3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one

C28H29FN6O — CID 12891760

IUPAC3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCC(Nc2nc3ccccc3n2-c2ccc(F)cc2)CC1
InChIInChI=1S/C28H29FN6O/c29-20-10-12-22(13-11-20)35-26-9-4-2-7-24(26)31-27(35)30-21-14-18-33(19-15-21)16-5-17-34-25-8-3-1-6-23(25)32-28(34)36/h1-4,6-13,21H,5,14-19H2,(H,30,31)(H,32,36)
InChIKeyXQQBWUKCVPMYSY-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.77
Rot. Bonds7

About 3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one

3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one (PubChem CID 12891760) has the molecular formula C28H29FN6O and a molecular weight of 484.58 g/mol. Its IUPAC name is 3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one
PubChem CID12891760
Molecular FormulaC28H29FN6O
Molecular Weight484.58 g/mol
Exact Mass484.24
IUPAC Name3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCC(Nc2nc3ccccc3n2-c2ccc(F)cc2)CC1
InChIInChI=1S/C28H29FN6O/c29-20-10-12-22(13-11-20)35-26-9-4-2-7-24(26)31-27(35)30-21-14-18-33(19-15-21)16-5-17-34-25-8-3-1-6-23(25)32-28(34)36/h1-4,6-13,21H,5,14-19H2,(H,30,31)(H,32,36)
InChIKeyXQQBWUKCVPMYSY-UHFFFAOYSA-N
XLogP4.77
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 67878780
N-[1-(4-aminobutyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine;trihydrochloride
CID 156621011
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891742
3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one
CID 10427916
4-[4-[(1-benzylbenzimidazol-2-yl)amino]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 12891552
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
N-[1-(3-anilinopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891570
1-ethyl-4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]tetrazol-5-one
CID 12891603
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-1H-benzimidazol-2-one
CID 13056042
4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid
CID 151956414
3-[3-[4-(1-propan-2-ylindol-3-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one;hydrochloride
CID 13056034
3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one
CID 14823436

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one (CID 12891760) is 3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCN1CCC(Nc2nc3ccccc3n2-c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one?
The InChIKey is XQQBWUKCVPMYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O/c29-20-10-12-22(13-11-20)35-26-9-4-2-7-24(26)31-27(35)30-21-14-18-33(19-15-21)16-5-17-34-25-8-3-1-6-23(25)32-28(34)36/h1-4,6-13,21H,5,14-19H2,(H,30,31)(H,32,36).
What are the key properties of 3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one?
3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one has a molecular weight of 484.58 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[[1-(4-fluorophenyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 12891760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).