(3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole

C19H29N5 — CID 122398899

IUPAC(3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole
SMILESc1cc(C2N[C@@H]3CCCC[C@H]3N2)nc(C2N[C@@H]3CCCC[C@H]3N2)c1
InChIInChI=1S/C19H29N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h5,10-15,18-19,21-24H,1-4,6-9H2/t12-,13-,14-,15-/m1/s1
InChIKeyPUNBFTBXIWBQPM-KBUPBQIOSA-N
MW327.48 g/mol
LogP2.09
Rot. Bonds2

About (3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole

(3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole (PubChem CID 122398899) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is (3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole.

Molecular Properties

Compound Name(3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole
PubChem CID122398899
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name(3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole
SMILESc1cc(C2N[C@@H]3CCCC[C@H]3N2)nc(C2N[C@@H]3CCCC[C@H]3N2)c1
InChIInChI=1S/C19H29N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h5,10-15,18-19,21-24H,1-4,6-9H2/t12-,13-,14-,15-/m1/s1
InChIKeyPUNBFTBXIWBQPM-KBUPBQIOSA-N
XLogP2.09
TPSA61.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole?
The IUPAC name of (3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole (CID 122398899) is (3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole.
What is the SMILES notation for (3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole?
The canonical SMILES for (3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole is c1cc(C2N[C@@H]3CCCC[C@H]3N2)nc(C2N[C@@H]3CCCC[C@H]3N2)c1.
What is the InChIKey of (3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole?
The InChIKey is PUNBFTBXIWBQPM-KBUPBQIOSA-N. The full InChI is InChI=1S/C19H29N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h5,10-15,18-19,21-24H,1-4,6-9H2/t12-,13-,14-,15-/m1/s1.
What are the key properties of (3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole?
(3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole has a molecular weight of 327.48 g/mol, XLogP of 2.09, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl]-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole is sourced from PubChem (CID 122398899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).