5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide

C19H25ClN4O2 — CID 86275883

IUPAC5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2cnc[nH]2)c1C)C1CCOCC1
InChIInChI=1S/C19H25ClN4O2/c1-3-24(16-4-6-26-7-5-16)18-9-14(20)8-17(13(18)2)19(25)22-11-15-10-21-12-23-15/h8-10,12,16H,3-7,11H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyPRQKPEQFPBXQPQ-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.31
Rot. Bonds6

About 5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide

5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide (PubChem CID 86275883) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide
PubChem CID86275883
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2cnc[nH]2)c1C)C1CCOCC1
InChIInChI=1S/C19H25ClN4O2/c1-3-24(16-4-6-26-7-5-16)18-9-14(20)8-17(13(18)2)19(25)22-11-15-10-21-12-23-15/h8-10,12,16H,3-7,11H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyPRQKPEQFPBXQPQ-UHFFFAOYSA-N
XLogP3.31
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide?
The IUPAC name of 5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide (CID 86275883) is 5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide.
What is the SMILES notation for 5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide?
The canonical SMILES for 5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide is CCN(c1cc(Cl)cc(C(=O)NCc2cnc[nH]2)c1C)C1CCOCC1.
What is the InChIKey of 5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide?
The InChIKey is PRQKPEQFPBXQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-3-24(16-4-6-26-7-5-16)18-9-14(20)8-17(13(18)2)19(25)22-11-15-10-21-12-23-15/h8-10,12,16H,3-7,11H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide?
5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide has a molecular weight of 376.89 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide is sourced from PubChem (CID 86275883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).