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

C27H31N5 — CID 72943279

IUPAC1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cncc(-c3nc4c(C)cc(C)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C27H31N5/c1-16-9-17(2)12-20(11-16)22-14-29-15-23(26(22)32-7-5-21(28)6-8-32)27-30-24-13-18(3)10-19(4)25(24)31-27/h9-15,21H,5-8,28H2,1-4H3,(H,30,31)
InChIKeySGUMFQAXVXTERN-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.45
Rot. Bonds3

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

1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine (PubChem CID 72943279) has the molecular formula C27H31N5 and a molecular weight of 425.58 g/mol. Its IUPAC name is 1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
PubChem CID72943279
Molecular FormulaC27H31N5
Molecular Weight425.58 g/mol
Exact Mass425.26
IUPAC Name1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cncc(-c3nc4c(C)cc(C)cc4[nH]3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C27H31N5/c1-16-9-17(2)12-20(11-16)22-14-29-15-23(26(22)32-7-5-21(28)6-8-32)27-30-24-13-18(3)10-19(4)25(24)31-27/h9-15,21H,5-8,28H2,1-4H3,(H,30,31)
InChIKeySGUMFQAXVXTERN-UHFFFAOYSA-N
XLogP5.45
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine (CID 72943279) is 1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine is Cc1cc(C)cc(-c2cncc(-c3nc4c(C)cc(C)cc4[nH]3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is SGUMFQAXVXTERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5/c1-16-9-17(2)12-20(11-16)22-14-29-15-23(26(22)32-7-5-21(28)6-8-32)27-30-24-13-18(3)10-19(4)25(24)31-27/h9-15,21H,5-8,28H2,1-4H3,(H,30,31).
What are the key properties of 1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine?
1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 425.58 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 72943279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).