N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide

C27H26N4O2 — CID 41082928

IUPACN-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C27H26N4O2/c1-20(21-12-14-24(15-13-21)31-17-16-28-19-31)29-26(32)18-25(22-8-4-2-5-9-22)30-27(33)23-10-6-3-7-11-23/h2-17,19-20,25H,18H2,1H3,(H,29,32)(H,30,33)/t20-,25-/m1/s1
InChIKeyNCNWXFPRGIJCJZ-CJFMBICVSA-N
MW438.53 g/mol
LogP4.61
Rot. Bonds8

About N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide

N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 41082928) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID41082928
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C27H26N4O2/c1-20(21-12-14-24(15-13-21)31-17-16-28-19-31)29-26(32)18-25(22-8-4-2-5-9-22)30-27(33)23-10-6-3-7-11-23/h2-17,19-20,25H,18H2,1H3,(H,29,32)(H,30,33)/t20-,25-/m1/s1
InChIKeyNCNWXFPRGIJCJZ-CJFMBICVSA-N
XLogP4.61
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082924
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
(3R)-3-(carbamoylamino)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(3-phenoxyphenyl)propanamide
CID 41082969
(3R)-3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 29430333
N-[(1S)-3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 2452944
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide
CID 74240597
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide
CID 35061240
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide (CID 41082928) is N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide is C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is NCNWXFPRGIJCJZ-CJFMBICVSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-20(21-12-14-24(15-13-21)31-17-16-28-19-31)29-26(32)18-25(22-8-4-2-5-9-22)30-27(33)23-10-6-3-7-11-23/h2-17,19-20,25H,18H2,1H3,(H,29,32)(H,30,33)/t20-,25-/m1/s1.
What are the key properties of N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 438.53 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 41082928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).