N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide

C26H31N5O2 — CID 155945255

IUPACN-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide
SMILESO=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1
InChIInChI=1S/C26H31N5O2/c32-25(19-30-14-4-2-1-3-5-15-30)28-23-9-11-24(12-10-23)29-26(33)22-8-6-7-21(17-22)18-31-16-13-27-20-31/h6-13,16-17,20H,1-5,14-15,18-19H2,(H,28,32)(H,29,33)
InChIKeyZVRIXJRAQGEFBV-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.39
Rot. Bonds7

About N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide

N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide (PubChem CID 155945255) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide
PubChem CID155945255
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide
SMILESO=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1
InChIInChI=1S/C26H31N5O2/c32-25(19-30-14-4-2-1-3-5-15-30)28-23-9-11-24(12-10-23)29-26(33)22-8-6-7-21(17-22)18-31-16-13-27-20-31/h6-13,16-17,20H,1-5,14-15,18-19H2,(H,28,32)(H,29,33)
InChIKeyZVRIXJRAQGEFBV-UHFFFAOYSA-N
XLogP4.39
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 155947569
3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide
CID 155967280
3-(imidazol-1-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 155945227
3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 155945950
3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide
CID 155946258
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide
CID 55718532
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide
CID 90214164
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-N'-[4-(2-piperidin-1-ylethyl)phenyl]oxamide
CID 155945405
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride
CID 90214167
3-(imidazol-1-ylmethyl)benzoate
CID 7219979

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide (CID 155945255) is N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide is O=C(CN1CCCCCCC1)Nc1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1.
What is the InChIKey of N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide?
The InChIKey is ZVRIXJRAQGEFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c32-25(19-30-14-4-2-1-3-5-15-30)28-23-9-11-24(12-10-23)29-26(33)22-8-6-7-21(17-22)18-31-16-13-27-20-31/h6-13,16-17,20H,1-5,14-15,18-19H2,(H,28,32)(H,29,33).
What are the key properties of N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide?
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide has a molecular weight of 445.57 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 155945255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).