N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide

C28H30FN5O — CID 44530936

IUPACN-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide
SMILESCC(CN1CCN(C)CC1)C(=O)Nc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1
InChIInChI=1S/C28H30FN5O/c1-19(18-34-14-12-33(2)13-15-34)28(35)30-24-9-6-20(7-10-24)21-4-3-5-22(16-21)27-31-25-11-8-23(29)17-26(25)32-27/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyZAOCKMYTBVSBCS-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.86
Rot. Bonds6

About N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide

N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 44530936) has the molecular formula C28H30FN5O and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID44530936
Molecular FormulaC28H30FN5O
Molecular Weight471.58 g/mol
Exact Mass471.24
IUPAC NameN-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide
SMILESCC(CN1CCN(C)CC1)C(=O)Nc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1
InChIInChI=1S/C28H30FN5O/c1-19(18-34-14-12-33(2)13-15-34)28(35)30-24-9-6-20(7-10-24)21-4-3-5-22(16-21)27-31-25-11-8-23(29)17-26(25)32-27/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyZAOCKMYTBVSBCS-UHFFFAOYSA-N
XLogP4.86
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 44530939
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide
CID 44530732
N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44530774
4-[2-[4-[[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
CID 44526514
2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol
CID 44525119
1-(3-cyanophenyl)-3-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]urea
CID 44525377
2-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717495
1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
CID 44525400
2-[4-(2-methylphenyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 59784240
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide
CID 52662842
1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide
CID 55902536

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide (CID 44530936) is N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide is CC(CN1CCN(C)CC1)C(=O)Nc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1.
What is the InChIKey of N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is ZAOCKMYTBVSBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O/c1-19(18-34-14-12-33(2)13-15-34)28(35)30-24-9-6-20(7-10-24)21-4-3-5-22(16-21)27-31-25-11-8-23(29)17-26(25)32-27/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32).
What are the key properties of N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide?
N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 471.58 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 44530936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).