N-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide

C23H19ClN4O2 — CID 141233616

IUPACN-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1cc(Cl)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C23H19ClN4O2/c1-15-12-20(24)19(22-26-10-11-27-22)13-21(15)28-23(29)16-5-7-18(8-6-16)30-14-17-4-2-3-9-25-17/h2-13H,14H2,1H3,(H,26,27)(H,28,29)
InChIKeyFCQXMKXNNPOBKZ-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.26
Rot. Bonds6

About N-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 141233616) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID141233616
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC NameN-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1cc(Cl)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C23H19ClN4O2/c1-15-12-20(24)19(22-26-10-11-27-22)13-21(15)28-23(29)16-5-7-18(8-6-16)30-14-17-4-2-3-9-25-17/h2-13H,14H2,1H3,(H,26,27)(H,28,29)
InChIKeyFCQXMKXNNPOBKZ-UHFFFAOYSA-N
XLogP5.26
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 141233616) is N-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1cc(Cl)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is FCQXMKXNNPOBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c1-15-12-20(24)19(22-26-10-11-27-22)13-21(15)28-23(29)16-5-7-18(8-6-16)30-14-17-4-2-3-9-25-17/h2-13H,14H2,1H3,(H,26,27)(H,28,29).
What are the key properties of N-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 418.88 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 141233616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).