2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide

C18H17ClN4O2 — CID 156907113

IUPAC2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cc(Cl)cc(OCc2ncc[nH]2)c1
InChIInChI=1S/C18H17ClN4O2/c1-12-2-3-20-10-16(12)23-18(24)8-13-6-14(19)9-15(7-13)25-11-17-21-4-5-22-17/h2-7,9-10H,8,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyVFBYPWUSCBXRKO-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.53
Rot. Bonds6

About 2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide

2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide (PubChem CID 156907113) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
PubChem CID156907113
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cc(Cl)cc(OCc2ncc[nH]2)c1
InChIInChI=1S/C18H17ClN4O2/c1-12-2-3-20-10-16(12)23-18(24)8-13-6-14(19)9-15(7-13)25-11-17-21-4-5-22-17/h2-7,9-10H,8,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyVFBYPWUSCBXRKO-UHFFFAOYSA-N
XLogP3.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide (CID 156907113) is 2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide is Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OCc2ncc[nH]2)c1.
What is the InChIKey of 2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The InChIKey is VFBYPWUSCBXRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12-2-3-20-10-16(12)23-18(24)8-13-6-14(19)9-15(7-13)25-11-17-21-4-5-22-17/h2-7,9-10H,8,11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide has a molecular weight of 356.81 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(1H-imidazol-2-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 156907113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).