N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide

C24H31N5O2 — CID 22246022

IUPACN-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide
SMILESCC(Oc1ccc(C(=O)NCc2ccc(NC3=NCCN3)cc2)cc1)C1CCNCC1
InChIInChI=1S/C24H31N5O2/c1-17(19-10-12-25-13-11-19)31-22-8-4-20(5-9-22)23(30)28-16-18-2-6-21(7-3-18)29-24-26-14-15-27-24/h2-9,17,19,25H,10-16H2,1H3,(H,28,30)(H2,26,27,29)
InChIKeyPDXFISGZKCZINO-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.75
Rot. Bonds7

About N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide

N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide (PubChem CID 22246022) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide
PubChem CID22246022
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide
SMILESCC(Oc1ccc(C(=O)NCc2ccc(NC3=NCCN3)cc2)cc1)C1CCNCC1
InChIInChI=1S/C24H31N5O2/c1-17(19-10-12-25-13-11-19)31-22-8-4-20(5-9-22)23(30)28-16-18-2-6-21(7-3-18)29-24-26-14-15-27-24/h2-9,17,19,25H,10-16H2,1H3,(H,28,30)(H2,26,27,29)
InChIKeyPDXFISGZKCZINO-UHFFFAOYSA-N
XLogP2.75
TPSA86.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide
CID 22246046
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide
CID 22246058
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 44531712
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911086
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 48986640
4-[(3-methylpiperidin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46775851

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide?
The IUPAC name of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide (CID 22246022) is N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide.
What is the SMILES notation for N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide?
The canonical SMILES for N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide is CC(Oc1ccc(C(=O)NCc2ccc(NC3=NCCN3)cc2)cc1)C1CCNCC1.
What is the InChIKey of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide?
The InChIKey is PDXFISGZKCZINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-17(19-10-12-25-13-11-19)31-22-8-4-20(5-9-22)23(30)28-16-18-2-6-21(7-3-18)29-24-26-14-15-27-24/h2-9,17,19,25H,10-16H2,1H3,(H,28,30)(H2,26,27,29).
What are the key properties of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide?
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide has a molecular weight of 421.55 g/mol, XLogP of 2.75, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide is sourced from PubChem (CID 22246022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).