[4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone

C26H33N5O2 — CID 171342411

IUPAC[4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone
SMILESCn1c(NC2CCN(CCc3ccc(C(=O)N4CCOCC4)cc3)CC2)nc2ccccc21
InChIInChI=1S/C26H33N5O2/c1-29-24-5-3-2-4-23(24)28-26(29)27-22-11-14-30(15-12-22)13-10-20-6-8-21(9-7-20)25(32)31-16-18-33-19-17-31/h2-9,22H,10-19H2,1H3,(H,27,28)
InChIKeyIRJQOFWHOXMSMB-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.16
Rot. Bonds6

About [4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone

[4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 171342411) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is [4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone
PubChem CID171342411
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name[4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone
SMILESCn1c(NC2CCN(CCc3ccc(C(=O)N4CCOCC4)cc3)CC2)nc2ccccc21
InChIInChI=1S/C26H33N5O2/c1-29-24-5-3-2-4-23(24)28-26(29)27-22-11-14-30(15-12-22)13-10-20-6-8-21(9-7-20)25(32)31-16-18-33-19-17-31/h2-9,22H,10-19H2,1H3,(H,27,28)
InChIKeyIRJQOFWHOXMSMB-UHFFFAOYSA-N
XLogP3.16
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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(3R,4R)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxane-3-carboxamide
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(3R,4R)-4-N-(4-{[2-(2-fluoropropan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)-3-N-hydroxyoxane-3,4-diamido
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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone (CID 171342411) is [4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone is Cn1c(NC2CCN(CCc3ccc(C(=O)N4CCOCC4)cc3)CC2)nc2ccccc21.
What is the InChIKey of [4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is IRJQOFWHOXMSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-29-24-5-3-2-4-23(24)28-26(29)27-22-11-14-30(15-12-22)13-10-20-6-8-21(9-7-20)25(32)31-16-18-33-19-17-31/h2-9,22H,10-19H2,1H3,(H,27,28).
What are the key properties of [4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone?
[4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 447.58 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 171342411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).