N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide

C18H17ClN4O — CID 95908382

IUPACN-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)[C@H](c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C18H17ClN4O/c1-22(17(24)12-23-10-9-21-13-23)18(15-3-2-8-20-11-15)14-4-6-16(19)7-5-14/h2-11,13,18H,12H2,1H3/t18-/m1/s1
InChIKeySNUPZHPZYMNMFV-GOSISDBHSA-N
MW340.81 g/mol
LogP3.18
Rot. Bonds5

About N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide

N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide (PubChem CID 95908382) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide
PubChem CID95908382
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)[C@H](c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C18H17ClN4O/c1-22(17(24)12-23-10-9-21-13-23)18(15-3-2-8-20-11-15)14-4-6-16(19)7-5-14/h2-11,13,18H,12H2,1H3/t18-/m1/s1
InChIKeySNUPZHPZYMNMFV-GOSISDBHSA-N
XLogP3.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 100900534
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 95234142
N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide
CID 166627921
2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide
CID 166270569
ethane;2-imidazol-1-yl-N,N-dimethylacetamide
CID 171641946
1-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-1-methyl-3-[2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 95765356
2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424
5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95553441
N-(imidazol-1-ylmethyl)pyridine-3-carboxamide
CID 86179423
N-benzhydryl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-imidazol-1-ylacetamide
CID 46219332
3-(3-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide
CID 72842125
1-[2-(4-chlorophenyl)prop-2-enyl]imidazole
CID 71322821

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide (CID 95908382) is N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide is CN(C(=O)Cn1ccnc1)[C@H](c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide?
The InChIKey is SNUPZHPZYMNMFV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-22(17(24)12-23-10-9-21-13-23)18(15-3-2-8-20-11-15)14-4-6-16(19)7-5-14/h2-11,13,18H,12H2,1H3/t18-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide?
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide has a molecular weight of 340.81 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide is sourced from PubChem (CID 95908382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).