1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine

C25H27N5O — CID 10112406

IUPAC1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
SMILESNC1CCN(c2cccc3ccc(-n4cnc5cc(OCC6CC6)ccc54)nc23)CC1
InChIInChI=1S/C25H27N5O/c26-19-10-12-29(13-11-19)23-3-1-2-18-6-9-24(28-25(18)23)30-16-27-21-14-20(7-8-22(21)30)31-15-17-4-5-17/h1-3,6-9,14,16-17,19H,4-5,10-13,15,26H2
InChIKeyGJHVPIXOGJZNNP-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.29
Rot. Bonds5

About 1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine

1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine (PubChem CID 10112406) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
PubChem CID10112406
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
SMILESNC1CCN(c2cccc3ccc(-n4cnc5cc(OCC6CC6)ccc54)nc23)CC1
InChIInChI=1S/C25H27N5O/c26-19-10-12-29(13-11-19)23-3-1-2-18-6-9-24(28-25(18)23)30-16-27-21-14-20(7-8-22(21)30)31-15-17-4-5-17/h1-3,6-9,14,16-17,19H,4-5,10-13,15,26H2
InChIKeyGJHVPIXOGJZNNP-UHFFFAOYSA-N
XLogP4.29
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine;phosphoric acid
CID 73438364
1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol
CID 151210296
2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol
CID 11634317
2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide
CID 10162497
6-[2-[[1-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-3-hydroxy-2-methylpropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 11505555
8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline
CID 141038235
3-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]-3-methylbutanamide
CID 10118652
2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone
CID 10276341
4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one
CID 70928974
1-[2-(5-pyridin-3-ylbenzimidazol-1-yl)quinolin-8-yl]piperidin-3-amine
CID 141038248
N-[1-[2-(5-hydroxybenzimidazol-1-yl)quinolin-8-yl]piperidin-4-yl]-methylboronamidic acid;molecular hydrogen
CID 157233133
1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol
CID 22227010

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine?
The IUPAC name of 1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine (CID 10112406) is 1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine is NC1CCN(c2cccc3ccc(-n4cnc5cc(OCC6CC6)ccc54)nc23)CC1.
What is the InChIKey of 1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine?
The InChIKey is GJHVPIXOGJZNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c26-19-10-12-29(13-11-19)23-3-1-2-18-6-9-24(28-25(18)23)30-16-27-21-14-20(7-8-22(21)30)31-15-17-4-5-17/h1-3,6-9,14,16-17,19H,4-5,10-13,15,26H2.
What are the key properties of 1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine?
1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine has a molecular weight of 413.53 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine is sourced from PubChem (CID 10112406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).