5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide

C12H15ClN4O2 — CID 3076684

IUPAC5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)c(NC2=NCCN2)cc1OC
InChIInChI=1S/C12H15ClN4O2/c1-14-11(18)7-5-8(13)9(6-10(7)19-2)17-12-15-3-4-16-12/h5-6H,3-4H2,1-2H3,(H,14,18)(H2,15,16,17)
InChIKeyCBPNCWPUYCIIMV-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.08
Rot. Bonds3

About 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide

5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide (PubChem CID 3076684) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide
PubChem CID3076684
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)c(NC2=NCCN2)cc1OC
InChIInChI=1S/C12H15ClN4O2/c1-14-11(18)7-5-8(13)9(6-10(7)19-2)17-12-15-3-4-16-12/h5-6H,3-4H2,1-2H3,(H,14,18)(H2,15,16,17)
InChIKeyCBPNCWPUYCIIMV-UHFFFAOYSA-N
XLogP1.08
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide (CID 3076684) is 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide is CNC(=O)c1cc(Cl)c(NC2=NCCN2)cc1OC.
What is the InChIKey of 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide?
The InChIKey is CBPNCWPUYCIIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-14-11(18)7-5-8(13)9(6-10(7)19-2)17-12-15-3-4-16-12/h5-6H,3-4H2,1-2H3,(H,14,18)(H2,15,16,17).
What are the key properties of 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide?
5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide has a molecular weight of 282.73 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 3076684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).