1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine

C25H31N5 — CID 118057586

IUPAC1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cncc(-c3nc4c([nH]3)CCCC4)c2N2CCC(N)CC2)c1
InChIInChI=1S/C25H31N5/c1-16-11-17(2)13-18(12-16)20-14-27-15-21(24(20)30-9-7-19(26)8-10-30)25-28-22-5-3-4-6-23(22)29-25/h11-15,19H,3-10,26H2,1-2H3,(H,28,29)
InChIKeyYFQLNZNFQXRWEO-UHFFFAOYSA-N
MW401.56 g/mol
LogP4.56
Rot. Bonds3

About 1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine

1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine (PubChem CID 118057586) has the molecular formula C25H31N5 and a molecular weight of 401.56 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
PubChem CID118057586
Molecular FormulaC25H31N5
Molecular Weight401.56 g/mol
Exact Mass401.26
IUPAC Name1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cncc(-c3nc4c([nH]3)CCCC4)c2N2CCC(N)CC2)c1
InChIInChI=1S/C25H31N5/c1-16-11-17(2)13-18(12-16)20-14-27-15-21(24(20)30-9-7-19(26)8-10-30)25-28-22-5-3-4-6-23(22)29-25/h11-15,19H,3-10,26H2,1-2H3,(H,28,29)
InChIKeyYFQLNZNFQXRWEO-UHFFFAOYSA-N
XLogP4.56
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine (CID 118057586) is 1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine is Cc1cc(C)cc(-c2cncc(-c3nc4c([nH]3)CCCC4)c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is YFQLNZNFQXRWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5/c1-16-11-17(2)13-18(12-16)20-14-27-15-21(24(20)30-9-7-19(26)8-10-30)25-28-22-5-3-4-6-23(22)29-25/h11-15,19H,3-10,26H2,1-2H3,(H,28,29).
What are the key properties of 1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine?
1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 401.56 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118057586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).