2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide

C29H33N5O2 — CID 42277625

IUPAC2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
SMILESC[C@@H](CNC(=O)Cn1cnc2ccccc21)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33N5O2/c1-23(19-30-29(35)21-34-22-31-27-9-5-6-10-28(27)34)36-26-13-11-24(12-14-26)20-32-15-17-33(18-16-32)25-7-3-2-4-8-25/h2-14,22-23H,15-21H2,1H3,(H,30,35)/t23-/m0/s1
InChIKeyBFEQNIWZDFWXHH-QHCPKHFHSA-N
MW483.62 g/mol
LogP3.94
Rot. Bonds9

About 2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide

2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide (PubChem CID 42277625) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
PubChem CID42277625
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
SMILESC[C@@H](CNC(=O)Cn1cnc2ccccc21)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33N5O2/c1-23(19-30-29(35)21-34-22-31-27-9-5-6-10-28(27)34)36-26-13-11-24(12-14-26)20-32-15-17-33(18-16-32)25-7-3-2-4-8-25/h2-14,22-23H,15-21H2,1H3,(H,30,35)/t23-/m0/s1
InChIKeyBFEQNIWZDFWXHH-QHCPKHFHSA-N
XLogP3.94
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzimidazol-1-yl)-N-[2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
CID 45198692
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
CID 42166391
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]-4-(trifluoromethyl)benzamide
CID 42168373
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propan-1-amine
CID 125161827
4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626
2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide
CID 45249485
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
(2S)-4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107833952
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 9121106
methyl 4-[[4-(benzimidazol-1-ylmethyl)piperidin-1-yl]methyl]benzoate;oxalic acid
CID 71780888

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide (CID 42277625) is 2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide is C[C@@H](CNC(=O)Cn1cnc2ccccc21)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide?
The InChIKey is BFEQNIWZDFWXHH-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-23(19-30-29(35)21-34-22-31-27-9-5-6-10-28(27)34)36-26-13-11-24(12-14-26)20-32-15-17-33(18-16-32)25-7-3-2-4-8-25/h2-14,22-23H,15-21H2,1H3,(H,30,35)/t23-/m0/s1.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide?
2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide has a molecular weight of 483.62 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide is sourced from PubChem (CID 42277625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).