1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine

C26H29N5O2 — CID 164622117

IUPAC1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
SMILESCOc1cc(OC)cc(-c2cncc(-c3nc4ccc(C)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C26H29N5O2/c1-16-4-5-23-24(10-16)30-26(29-23)22-15-28-14-21(25(22)31-8-6-18(27)7-9-31)17-11-19(32-2)13-20(12-17)33-3/h4-5,10-15,18H,6-9,27H2,1-3H3,(H,29,30)
InChIKeySEJXOCKJSJRSPQ-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.55
Rot. Bonds5

About 1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine

1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine (PubChem CID 164622117) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
PubChem CID164622117
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
SMILESCOc1cc(OC)cc(-c2cncc(-c3nc4ccc(C)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C26H29N5O2/c1-16-4-5-23-24(10-16)30-26(29-23)22-15-28-14-21(25(22)31-8-6-18(27)7-9-31)17-11-19(32-2)13-20(12-17)33-3/h4-5,10-15,18H,6-9,27H2,1-3H3,(H,29,30)
InChIKeySEJXOCKJSJRSPQ-UHFFFAOYSA-N
XLogP4.55
TPSA89.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine (CID 164622117) is 1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine is COc1cc(OC)cc(-c2cncc(-c3nc4ccc(C)cc4[nH]3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is SEJXOCKJSJRSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-16-4-5-23-24(10-16)30-26(29-23)22-15-28-14-21(25(22)31-8-6-18(27)7-9-31)17-11-19(32-2)13-20(12-17)33-3/h4-5,10-15,18H,6-9,27H2,1-3H3,(H,29,30).
What are the key properties of 1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 443.55 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 164622117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).