3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide

C10H10BrClN4O — CID 174258723

IUPAC3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
SMILESNC(=O)c1cc(Cl)c(NC2=NCCN2)c(Br)c1
InChIInChI=1S/C10H10BrClN4O/c11-6-3-5(9(13)17)4-7(12)8(6)16-10-14-1-2-15-10/h3-4H,1-2H2,(H2,13,17)(H2,14,15,16)
InChIKeyMDLXDLPLNXYWAI-UHFFFAOYSA-N
MW317.57 g/mol
LogP1.57
Rot. Bonds2

About 3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide

3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide (PubChem CID 174258723) has the molecular formula C10H10BrClN4O and a molecular weight of 317.57 g/mol. Its IUPAC name is 3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
PubChem CID174258723
Molecular FormulaC10H10BrClN4O
Molecular Weight317.57 g/mol
Exact Mass315.97
IUPAC Name3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
SMILESNC(=O)c1cc(Cl)c(NC2=NCCN2)c(Br)c1
InChIInChI=1S/C10H10BrClN4O/c11-6-3-5(9(13)17)4-7(12)8(6)16-10-14-1-2-15-10/h3-4H,1-2H2,(H2,13,17)(H2,14,15,16)
InChIKeyMDLXDLPLNXYWAI-UHFFFAOYSA-N
XLogP1.57
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoic acid;dihydrate
CID 139056648
N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107611250
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
CID 138491779
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;phosphoric acid
CID 155256199
4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine
CID 139945191
4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
CID 22245999
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;bis(2,2,3,3,4,4,4-heptafluorobutanoic acid)
CID 155256122
1-[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-methyl-3-sulfanylurea
CID 88707399
1-[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-methyl-3-sulfanylurea;hydrochloride
CID 88707398
4-[[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)anilino]methyl]benzoic acid
CID 70532179
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3,4-dihydroxybenzoic acid
CID 146265325
3-bromo-5-chloro-4-fluorobenzamide
CID 131622385

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide?
The IUPAC name of 3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide (CID 174258723) is 3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide?
The canonical SMILES for 3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide is NC(=O)c1cc(Cl)c(NC2=NCCN2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide?
The InChIKey is MDLXDLPLNXYWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4O/c11-6-3-5(9(13)17)4-7(12)8(6)16-10-14-1-2-15-10/h3-4H,1-2H2,(H2,13,17)(H2,14,15,16).
What are the key properties of 3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide?
3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide has a molecular weight of 317.57 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide is sourced from PubChem (CID 174258723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).