5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide

C18H28ClN5O2 — CID 3076803

IUPAC5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(NC2=NCC(C)N2)cc1OC
InChIInChI=1S/C18H28ClN5O2/c1-5-24(6-2)8-7-20-17(25)13-9-14(19)15(10-16(13)26-4)23-18-21-11-12(3)22-18/h9-10,12H,5-8,11H2,1-4H3,(H,20,25)(H2,21,22,23)
InChIKeyWLOCOULHSNWBOI-UHFFFAOYSA-N
MW381.91 g/mol
LogP2.18
Rot. Bonds8

About 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide

5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide (PubChem CID 3076803) has the molecular formula C18H28ClN5O2 and a molecular weight of 381.91 g/mol. Its IUPAC name is 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide
PubChem CID3076803
Molecular FormulaC18H28ClN5O2
Molecular Weight381.91 g/mol
Exact Mass381.19
IUPAC Name5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(NC2=NCC(C)N2)cc1OC
InChIInChI=1S/C18H28ClN5O2/c1-5-24(6-2)8-7-20-17(25)13-9-14(19)15(10-16(13)26-4)23-18-21-11-12(3)22-18/h9-10,12H,5-8,11H2,1-4H3,(H,20,25)(H2,21,22,23)
InChIKeyWLOCOULHSNWBOI-UHFFFAOYSA-N
XLogP2.18
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide?
The IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide (CID 3076803) is 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide.
What is the SMILES notation for 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide?
The canonical SMILES for 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide is CCN(CC)CCNC(=O)c1cc(Cl)c(NC2=NCC(C)N2)cc1OC.
What is the InChIKey of 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide?
The InChIKey is WLOCOULHSNWBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN5O2/c1-5-24(6-2)8-7-20-17(25)13-9-14(19)15(10-16(13)26-4)23-18-21-11-12(3)22-18/h9-10,12H,5-8,11H2,1-4H3,(H,20,25)(H2,21,22,23).
What are the key properties of 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide?
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide has a molecular weight of 381.91 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide is sourced from PubChem (CID 3076803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).