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

C28H30FN5O — CID 44530939

IUPACN-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide
SMILESCC(CN1CCN(C)CC1)C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1
InChIInChI=1S/C28H30FN5O/c1-19(18-34-14-12-33(2)13-15-34)28(35)30-24-5-3-4-22(16-24)20-6-8-21(9-7-20)27-31-25-11-10-23(29)17-26(25)32-27/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyVPHRWCKBVFDAAI-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.86
Rot. Bonds6

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

N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 44530939) has the molecular formula C28H30FN5O and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID44530939
Molecular FormulaC28H30FN5O
Molecular Weight471.58 g/mol
Exact Mass471.24
IUPAC NameN-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide
SMILESCC(CN1CCN(C)CC1)C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1
InChIInChI=1S/C28H30FN5O/c1-19(18-34-14-12-33(2)13-15-34)28(35)30-24-5-3-4-22(16-24)20-6-8-21(9-7-20)27-31-25-11-10-23(29)17-26(25)32-27/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyVPHRWCKBVFDAAI-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-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 44530936
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
1-(3-cyanophenyl)-3-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]urea
CID 44525377
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
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
2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
CID 44530705
6-fluoro-2-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]-1H-benzimidazole
CID 44525093
6-fluoro-2-[4-[4-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526446
4-fluoro-N-[3-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524357
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 55965099
N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide
CID 44530732

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide (CID 44530939) is N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide is CC(CN1CCN(C)CC1)C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1.
What is the InChIKey of N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is VPHRWCKBVFDAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O/c1-19(18-34-14-12-33(2)13-15-34)28(35)30-24-5-3-4-22(16-24)20-6-8-21(9-7-20)27-31-25-11-10-23(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-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide?
N-[3-[4-(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-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 44530939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).