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

C28H31N5O — CID 118057652

IUPAC1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
SMILESCOc1cc(-c2cncc(-c3nc4ccc(C)cc4[nH]3)c2N2CCC(N)CC2)cc(C2CC2)c1
InChIInChI=1S/C28H31N5O/c1-17-3-6-25-26(11-17)32-28(31-25)24-16-30-15-23(27(24)33-9-7-21(29)8-10-33)20-12-19(18-4-5-18)13-22(14-20)34-2/h3,6,11-16,18,21H,4-5,7-10,29H2,1-2H3,(H,31,32)
InChIKeyPWQMPEFFLPOWSM-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.41
Rot. Bonds5

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

1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine (PubChem CID 118057652) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is 1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
PubChem CID118057652
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC Name1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
SMILESCOc1cc(-c2cncc(-c3nc4ccc(C)cc4[nH]3)c2N2CCC(N)CC2)cc(C2CC2)c1
InChIInChI=1S/C28H31N5O/c1-17-3-6-25-26(11-17)32-28(31-25)24-16-30-15-23(27(24)33-9-7-21(29)8-10-33)20-12-19(18-4-5-18)13-22(14-20)34-2/h3,6,11-16,18,21H,4-5,7-10,29H2,1-2H3,(H,31,32)
InChIKeyPWQMPEFFLPOWSM-UHFFFAOYSA-N
XLogP5.41
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine with MolForge

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Related Compounds

1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164623072
[1-[3-(3,5-dimethoxyphenyl)-5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-yl]methanamine
CID 118057725
1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
CID 72943279
4-(4-aminopiperidin-1-yl)-3-(6-ethynyl-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine
CID 135329350
(4aS,8aS)-6-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine;(4aR,8aR)-6-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 159243997
1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057586
1-[3-(6-chloro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridazin-4-yl]piperidin-4-amine
CID 135329364
1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine
CID 118057436
1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057706
(3S,4R)-1-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]-4-(3,3,3-trifluoropropylamino)piperidin-3-ol
CID 142411504
4-(4-aminopiperidin-1-yl)-3-(6-chloro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-N-methylpyridin-2-amine;propane
CID 171804854
2-[4-[3-(aminomethyl)azetidin-1-yl]-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 139392731

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine (CID 118057652) is 1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine is COc1cc(-c2cncc(-c3nc4ccc(C)cc4[nH]3)c2N2CCC(N)CC2)cc(C2CC2)c1.
What is the InChIKey of 1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is PWQMPEFFLPOWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O/c1-17-3-6-25-26(11-17)32-28(31-25)24-16-30-15-23(27(24)33-9-7-21(29)8-10-33)20-12-19(18-4-5-18)13-22(14-20)34-2/h3,6,11-16,18,21H,4-5,7-10,29H2,1-2H3,(H,31,32).
What are the key properties of 1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 453.59 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118057652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).