2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole

C22H33N3 — CID 141019607

IUPAC2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole
SMILESCC(C)C1(N2CCC(c3nc4ccccc4[nH]3)CC2)CCCCCC1
InChIInChI=1S/C22H33N3/c1-17(2)22(13-7-3-4-8-14-22)25-15-11-18(12-16-25)21-23-19-9-5-6-10-20(19)24-21/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3,(H,23,24)
InChIKeyKHINYAXHBRTPCJ-UHFFFAOYSA-N
MW339.53 g/mol
LogP5.49
Rot. Bonds3

About 2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole

2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole (PubChem CID 141019607) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is 2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole
PubChem CID141019607
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC Name2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole
SMILESCC(C)C1(N2CCC(c3nc4ccccc4[nH]3)CC2)CCCCCC1
InChIInChI=1S/C22H33N3/c1-17(2)22(13-7-3-4-8-14-22)25-15-11-18(12-16-25)21-23-19-9-5-6-10-20(19)24-21/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3,(H,23,24)
InChIKeyKHINYAXHBRTPCJ-UHFFFAOYSA-N
XLogP5.49
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine
CID 82167745
2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
CID 10087324
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone
CID 56814068
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
2-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762237
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 71827914
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole (CID 141019607) is 2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole is CC(C)C1(N2CCC(c3nc4ccccc4[nH]3)CC2)CCCCCC1.
What is the InChIKey of 2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole?
The InChIKey is KHINYAXHBRTPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3/c1-17(2)22(13-7-3-4-8-14-22)25-15-11-18(12-16-25)21-23-19-9-5-6-10-20(19)24-21/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3,(H,23,24).
What are the key properties of 2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole?
2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole has a molecular weight of 339.53 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 141019607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).