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

C27H29N5O — CID 44530774

IUPACN-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)CN5CCN(C)CC5)cc4)c3)nc12
InChIInChI=1S/C27H29N5O/c1-19-5-3-8-24-26(19)30-27(29-24)22-7-4-6-21(17-22)20-9-11-23(12-10-20)28-25(33)18-32-15-13-31(2)14-16-32/h3-12,17H,13-16,18H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyHITLTDJQYSEWSU-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.39
Rot. Bonds5

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

N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 44530774) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID44530774
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC NameN-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)CN5CCN(C)CC5)cc4)c3)nc12
InChIInChI=1S/C27H29N5O/c1-19-5-3-8-24-26(19)30-27(29-24)22-7-4-6-21(17-22)20-9-11-23(12-10-20)28-25(33)18-32-15-13-31(2)14-16-32/h3-12,17H,13-16,18H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyHITLTDJQYSEWSU-UHFFFAOYSA-N
XLogP4.39
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44530779
2-[4-[[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol;2,2,2-trifluoroacetic acid
CID 44525100
N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 44530936
1-[3-[[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]propyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 44524593
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide
CID 56673048
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1H-imidazole-5-carboxamide
CID 44530727
methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate
CID 3101729
4-[2-[4-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
CID 44526493
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
3-[4-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]propanenitrile;2,2,2-trifluoroacetic acid
CID 44526364
5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
CID 118735725

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 44530774) is N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide is Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)CN5CCN(C)CC5)cc4)c3)nc12.
What is the InChIKey of N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is HITLTDJQYSEWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-19-5-3-8-24-26(19)30-27(29-24)22-7-4-6-21(17-22)20-9-11-23(12-10-20)28-25(33)18-32-15-13-31(2)14-16-32/h3-12,17H,13-16,18H2,1-2H3,(H,28,33)(H,29,30).
What are the key properties of N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 439.56 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 44530774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).