N-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine

C27H30N4O — CID 56947742

IUPACN-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NC(c2cccc(OCc3ccccc3)c2)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H30N4O/c1-31-16-14-22(15-17-31)28-26(27-29-24-12-5-6-13-25(24)30-27)21-10-7-11-23(18-21)32-19-20-8-3-2-4-9-20/h2-13,18,22,26,28H,14-17,19H2,1H3,(H,29,30)
InChIKeyWPHYIGFFRCYREE-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.92
Rot. Bonds7

About N-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine

N-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 56947742) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID56947742
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC NameN-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NC(c2cccc(OCc3ccccc3)c2)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C27H30N4O/c1-31-16-14-22(15-17-31)28-26(27-29-24-12-5-6-13-25(24)30-27)21-10-7-11-23(18-21)32-19-20-8-3-2-4-9-20/h2-13,18,22,26,28H,14-17,19H2,1H3,(H,29,30)
InChIKeyWPHYIGFFRCYREE-UHFFFAOYSA-N
XLogP4.92
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine (CID 56947742) is N-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine is CN1CCC(NC(c2cccc(OCc3ccccc3)c2)c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is WPHYIGFFRCYREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-31-16-14-22(15-17-31)28-26(27-29-24-12-5-6-13-25(24)30-27)21-10-7-11-23(18-21)32-19-20-8-3-2-4-9-20/h2-13,18,22,26,28H,14-17,19H2,1H3,(H,29,30).
What are the key properties of N-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine?
N-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 426.56 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-benzimidazol-2-yl-(3-phenylmethoxyphenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 56947742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).