4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide

C23H26N4O — CID 167851793

IUPAC4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C23H26N4O/c28-23(20-7-11-21(12-8-20)26-14-3-1-2-4-15-26)25-17-19-5-9-22(10-6-19)27-16-13-24-18-27/h5-13,16,18H,1-4,14-15,17H2,(H,25,28)
InChIKeyCDRREBAFQGPIOQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.18
Rot. Bonds5

About 4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide

4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide (PubChem CID 167851793) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
PubChem CID167851793
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C23H26N4O/c28-23(20-7-11-21(12-8-20)26-14-3-1-2-4-15-26)25-17-19-5-9-22(10-6-19)27-16-13-24-18-27/h5-13,16,18H,1-4,14-15,17H2,(H,25,28)
InChIKeyCDRREBAFQGPIOQ-UHFFFAOYSA-N
XLogP4.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
CID 51085922
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56820271
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 48994302
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92682536
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
4-[(R)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616767
N-[(4-piperidin-1-ylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704007

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide (CID 167851793) is 4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide is O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
The InChIKey is CDRREBAFQGPIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(20-7-11-21(12-8-20)26-14-3-1-2-4-15-26)25-17-19-5-9-22(10-6-19)27-16-13-24-18-27/h5-13,16,18H,1-4,14-15,17H2,(H,25,28).
What are the key properties of 4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide has a molecular weight of 374.49 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 167851793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).