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

C13H17ClN4O2 — CID 19896989

IUPAC5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide
SMILESCCNC(=O)c1cc(Cl)c(NC2=NCCN2)cc1OC
InChIInChI=1S/C13H17ClN4O2/c1-3-15-12(19)8-6-9(14)10(7-11(8)20-2)18-13-16-4-5-17-13/h6-7H,3-5H2,1-2H3,(H,15,19)(H2,16,17,18)
InChIKeyFQULDRNCIDAKAW-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.47
Rot. Bonds4

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

5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide (PubChem CID 19896989) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide
PubChem CID19896989
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide
SMILESCCNC(=O)c1cc(Cl)c(NC2=NCCN2)cc1OC
InChIInChI=1S/C13H17ClN4O2/c1-3-15-12(19)8-6-9(14)10(7-11(8)20-2)18-13-16-4-5-17-13/h6-7H,3-5H2,1-2H3,(H,15,19)(H2,16,17,18)
InChIKeyFQULDRNCIDAKAW-UHFFFAOYSA-N
XLogP1.47
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
CID 70352618
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
CID 119507340
4,5-ditert-butyl-N-ethyl-2-methoxybenzamide
CID 155787502
4-chloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzene-1,3-diamine
CID 139945187
4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide
CID 4006974
4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile
CID 114400407
4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide
CID 7379277
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
5-chloro-4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-2-methoxybenzoic acid
CID 43646818
methyl 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylbenzoate
CID 12769659
4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide
CID 17257104

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide?
The IUPAC name of 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide (CID 19896989) is 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide?
The canonical SMILES for 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide is CCNC(=O)c1cc(Cl)c(NC2=NCCN2)cc1OC.
What is the InChIKey of 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide?
The InChIKey is FQULDRNCIDAKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-3-15-12(19)8-6-9(14)10(7-11(8)20-2)18-13-16-4-5-17-13/h6-7H,3-5H2,1-2H3,(H,15,19)(H2,16,17,18).
What are the key properties of 5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide?
5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide has a molecular weight of 296.76 g/mol, XLogP of 1.47, 4 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)-N-ethyl-2-methoxybenzamide is sourced from PubChem (CID 19896989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).