3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide

C18H15Cl2N3O — CID 40809427

IUPAC3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCn1ccnc1[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H15Cl2N3O/c1-23-8-7-21-17(23)16(12-5-3-2-4-6-12)22-18(24)13-9-14(19)11-15(20)10-13/h2-11,16H,1H3,(H,22,24)/t16-/m1/s1
InChIKeyUOKPPMBFIZWAFM-MRXNPFEDSA-N
MW360.24 g/mol
LogP4.25
Rot. Bonds4

About 3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide

3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide (PubChem CID 40809427) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is 3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
PubChem CID40809427
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCn1ccnc1[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H15Cl2N3O/c1-23-8-7-21-17(23)16(12-5-3-2-4-6-12)22-18(24)13-9-14(19)11-15(20)10-13/h2-11,16H,1H3,(H,22,24)/t16-/m1/s1
InChIKeyUOKPPMBFIZWAFM-MRXNPFEDSA-N
XLogP4.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
7-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-benzodioxole-5-carboxamide
CID 47014626
7-chloro-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-benzodioxole-5-carboxamide
CID 31357742
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25324448
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide
CID 42924153

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide (CID 40809427) is 3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide is Cn1ccnc1[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of 3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is UOKPPMBFIZWAFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c1-23-8-7-21-17(23)16(12-5-3-2-4-6-12)22-18(24)13-9-14(19)11-15(20)10-13/h2-11,16H,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide has a molecular weight of 360.24 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 40809427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).