N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide

C29H31N5O2 — CID 155681499

IUPACN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1nc2ccccc2[nH]1
InChIInChI=1S/C29H31N5O2/c35-29(28-31-24-7-1-2-8-25(24)32-28)33-26-9-3-5-21-6-4-18-34(27(21)26)19-20-10-12-22(13-11-20)36-23-14-16-30-17-15-23/h1-3,5,7-13,23,30H,4,6,14-19H2,(H,31,32)(H,33,35)
InChIKeySYTPPVUPARHOCL-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.90
Rot. Bonds6

About N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide

N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide (PubChem CID 155681499) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide
PubChem CID155681499
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC NameN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1nc2ccccc2[nH]1
InChIInChI=1S/C29H31N5O2/c35-29(28-31-24-7-1-2-8-25(24)32-28)33-26-9-3-5-21-6-4-18-34(27(21)26)19-20-10-12-22(13-11-20)36-23-14-16-30-17-15-23/h1-3,5,7-13,23,30H,4,6,14-19H2,(H,31,32)(H,33,35)
InChIKeySYTPPVUPARHOCL-UHFFFAOYSA-N
XLogP4.90
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide (CID 155681499) is N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide is O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide?
The InChIKey is SYTPPVUPARHOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c35-29(28-31-24-7-1-2-8-25(24)32-28)33-26-9-3-5-21-6-4-18-34(27(21)26)19-20-10-12-22(13-11-20)36-23-14-16-30-17-15-23/h1-3,5,7-13,23,30H,4,6,14-19H2,(H,31,32)(H,33,35).
What are the key properties of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide?
N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 155681499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).