4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline

C25H24ClFN4 — CID 138664233

IUPAC4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCN([C@@H](c4nc5ccc(Cl)cc5[nH]4)C4CC4)CC3)c2c1
InChIInChI=1S/C25H24ClFN4/c26-17-3-5-22-23(13-17)30-25(29-22)24(16-1-2-16)31-11-8-15(9-12-31)19-7-10-28-21-6-4-18(27)14-20(19)21/h3-7,10,13-16,24H,1-2,8-9,11-12H2,(H,29,30)/t24-/m1/s1
InChIKeyYNLJRWXMVFEQNN-XMMPIXPASA-N
MW434.95 g/mol
LogP6.23
Rot. Bonds4

About 4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline

4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline (PubChem CID 138664233) has the molecular formula C25H24ClFN4 and a molecular weight of 434.95 g/mol. Its IUPAC name is 4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline
PubChem CID138664233
Molecular FormulaC25H24ClFN4
Molecular Weight434.95 g/mol
Exact Mass434.17
IUPAC Name4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCN([C@@H](c4nc5ccc(Cl)cc5[nH]4)C4CC4)CC3)c2c1
InChIInChI=1S/C25H24ClFN4/c26-17-3-5-22-23(13-17)30-25(29-22)24(16-1-2-16)31-11-8-15(9-12-31)19-7-10-28-21-6-4-18(27)14-20(19)21/h3-7,10,13-16,24H,1-2,8-9,11-12H2,(H,29,30)/t24-/m1/s1
InChIKeyYNLJRWXMVFEQNN-XMMPIXPASA-N
XLogP6.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.95
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline?
The IUPAC name of 4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline (CID 138664233) is 4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline.
What is the SMILES notation for 4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline?
The canonical SMILES for 4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline is Fc1ccc2nccc(C3CCN([C@@H](c4nc5ccc(Cl)cc5[nH]4)C4CC4)CC3)c2c1.
What is the InChIKey of 4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline?
The InChIKey is YNLJRWXMVFEQNN-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24ClFN4/c26-17-3-5-22-23(13-17)30-25(29-22)24(16-1-2-16)31-11-8-15(9-12-31)19-7-10-28-21-6-4-18(27)14-20(19)21/h3-7,10,13-16,24H,1-2,8-9,11-12H2,(H,29,30)/t24-/m1/s1.
What are the key properties of 4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline?
4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline has a molecular weight of 434.95 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(R)-(6-chloro-1H-benzimidazol-2-yl)-cyclopropylmethyl]piperidin-4-yl]-6-fluoroquinoline is sourced from PubChem (CID 138664233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).