5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide

C17H26ClN5O2 — CID 3066734

IUPAC5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(NC2=NCCN2)cc1OC
InChIInChI=1S/C17H26ClN5O2/c1-4-23(5-2)9-8-19-16(24)12-10-13(18)14(11-15(12)25-3)22-17-20-6-7-21-17/h10-11H,4-9H2,1-3H3,(H,19,24)(H2,20,21,22)
InChIKeyLFIDDKDILRHDBO-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.79
Rot. Bonds8

About 5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide

5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide (PubChem CID 3066734) has the molecular formula C17H26ClN5O2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide
PubChem CID3066734
Molecular FormulaC17H26ClN5O2
Molecular Weight367.88 g/mol
Exact Mass367.18
IUPAC Name5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(NC2=NCCN2)cc1OC
InChIInChI=1S/C17H26ClN5O2/c1-4-23(5-2)9-8-19-16(24)12-10-13(18)14(11-15(12)25-3)22-17-20-6-7-21-17/h10-11H,4-9H2,1-3H3,(H,19,24)(H2,20,21,22)
InChIKeyLFIDDKDILRHDBO-UHFFFAOYSA-N
XLogP1.79
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.79
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]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide (CID 3066734) is 5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide is CCN(CC)CCNC(=O)c1cc(Cl)c(NC2=NCCN2)cc1OC.
What is the InChIKey of 5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide?
The InChIKey is LFIDDKDILRHDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN5O2/c1-4-23(5-2)9-8-19-16(24)12-10-13(18)14(11-15(12)25-3)22-17-20-6-7-21-17/h10-11H,4-9H2,1-3H3,(H,19,24)(H2,20,21,22).
What are the key properties of 5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide?
5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide has a molecular weight of 367.88 g/mol, XLogP of 1.79, 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]-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methoxybenzamide is sourced from PubChem (CID 3066734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).