N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline

C28H32N4O — CID 21260449

IUPACN-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
SMILESCN(CCN1CCCCC1)c1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C28H32N4O/c1-31(18-19-32-16-6-3-7-17-32)24-12-10-23(11-13-24)28-29-26-15-14-25(20-27(26)30-28)33-21-22-8-4-2-5-9-22/h2,4-5,8-15,20H,3,6-7,16-19,21H2,1H3,(H,29,30)
InChIKeyIKYRAPINVMLYLN-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.73
Rot. Bonds8

About N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline

N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline (PubChem CID 21260449) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
PubChem CID21260449
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC NameN-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
SMILESCN(CCN1CCCCC1)c1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C28H32N4O/c1-31(18-19-32-16-6-3-7-17-32)24-12-10-23(11-13-24)28-29-26-15-14-25(20-27(26)30-28)33-21-22-8-4-2-5-9-22/h2,4-5,8-15,20H,3,6-7,16-19,21H2,1H3,(H,29,30)
InChIKeyIKYRAPINVMLYLN-UHFFFAOYSA-N
XLogP5.73
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
CID 12051576
1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine
CID 138649430
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine
CID 70006976
N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine;dihydrochloride
CID 70006975
3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide
CID 4915123
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 18621401
3-[[2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylpropan-1-amine
CID 138650020
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 11538128
2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110534777

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline?
The IUPAC name of N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline (CID 21260449) is N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline.
What is the SMILES notation for N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline?
The canonical SMILES for N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline is CN(CCN1CCCCC1)c1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1.
What is the InChIKey of N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline?
The InChIKey is IKYRAPINVMLYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O/c1-31(18-19-32-16-6-3-7-17-32)24-12-10-23(11-13-24)28-29-26-15-14-25(20-27(26)30-28)33-21-22-8-4-2-5-9-22/h2,4-5,8-15,20H,3,6-7,16-19,21H2,1H3,(H,29,30).
What are the key properties of N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline?
N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline has a molecular weight of 440.59 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline is sourced from PubChem (CID 21260449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).