N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide

C25H23N3O2 — CID 25390282

IUPACN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide
SMILESCn1ccnc1[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-28-16-15-26-24(28)23(20-11-6-3-7-12-20)27-25(29)21-13-8-14-22(17-21)30-18-19-9-4-2-5-10-19/h2-17,23H,18H2,1H3,(H,27,29)/t23-/m1/s1
InChIKeyMHDVBCLQQRHLOY-HSZRJFAPSA-N
MW397.48 g/mol
LogP4.52
Rot. Bonds7

About N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide (PubChem CID 25390282) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide
PubChem CID25390282
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide
SMILESCn1ccnc1[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-28-16-15-26-24(28)23(20-11-6-3-7-12-20)27-25(29)21-13-8-14-22(17-21)30-18-19-9-4-2-5-10-19/h2-17,23H,18H2,1H3,(H,27,29)/t23-/m1/s1
InChIKeyMHDVBCLQQRHLOY-HSZRJFAPSA-N
XLogP4.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
3-phenylmethoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 60521820
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenoxybenzamide
CID 55457244
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
CID 40821023
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25351615
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 134024613
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 25350098
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide (CID 25390282) is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide is Cn1ccnc1[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide?
The InChIKey is MHDVBCLQQRHLOY-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-28-16-15-26-24(28)23(20-11-6-3-7-12-20)27-25(29)21-13-8-14-22(17-21)30-18-19-9-4-2-5-10-19/h2-17,23H,18H2,1H3,(H,27,29)/t23-/m1/s1.
What are the key properties of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide?
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide has a molecular weight of 397.48 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 25390282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).