5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole

C9H7BrClN3O2 — CID 10756937

IUPAC5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole
SMILESCCc1nc2c([N+](=O)[O-])c(Br)c(Cl)cc2[nH]1
InChIInChI=1S/C9H7BrClN3O2/c1-2-6-12-5-3-4(11)7(10)9(14(15)16)8(5)13-6/h3H,2H2,1H3,(H,12,13)
InChIKeyINVHQRFVQKNHGA-UHFFFAOYSA-N
MW304.53 g/mol
LogP3.45
Rot. Bonds2

About 5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole

5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole (PubChem CID 10756937) has the molecular formula C9H7BrClN3O2 and a molecular weight of 304.53 g/mol. Its IUPAC name is 5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole
PubChem CID10756937
Molecular FormulaC9H7BrClN3O2
Molecular Weight304.53 g/mol
Exact Mass302.94
IUPAC Name5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole
SMILESCCc1nc2c([N+](=O)[O-])c(Br)c(Cl)cc2[nH]1
InChIInChI=1S/C9H7BrClN3O2/c1-2-6-12-5-3-4(11)7(10)9(14(15)16)8(5)13-6/h3H,2H2,1H3,(H,12,13)
InChIKeyINVHQRFVQKNHGA-UHFFFAOYSA-N
XLogP3.45
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,6-dibromo-2-methyl-4-nitro-1H-benzimidazole
CID 10782983
6,7-dibromo-3,5-dinitro-1H-quinoxalin-2-one
CID 23354320
2-[(4-amino-5-chloro-1H-benzimidazol-2-yl)methyl]-5-chloro-1H-benzimidazol-4-amine;5-chloro-2-[(5-chloro-4-nitro-1H-benzimidazol-2-yl)methyl]-4-nitro-1H-benzimidazole
CID 159261317
4-bromo-2-(fluoromethyl)-6-nitro-1H-benzimidazole
CID 86687829
(5,7-dibromo-4,6-dinitro-1H-benzimidazol-2-yl)methanol
CID 142772901
6-chloro-2-ethyl-1H-benzimidazole-5-carbonitrile
CID 112756970
5-chloro-7-ethyl-4-nitro-2,1,3-benzoxadiazole
CID 143124181
8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one
CID 136743464
3-bromo-1,5-dichloro-2-nitro-4-propylsulfanylbenzene
CID 11175364
2-bromo-6-ethyl-4-nitropyridine
CID 91102735
2-(chloromethyl)-4-methyl-5-nitro-1H-benzimidazole
CID 130053119
5-chloro-4-nitro-2-phenylsulfanyl-1H-benzimidazole
CID 86062551

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole?
The IUPAC name of 5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole (CID 10756937) is 5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole is CCc1nc2c([N+](=O)[O-])c(Br)c(Cl)cc2[nH]1.
What is the InChIKey of 5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole?
The InChIKey is INVHQRFVQKNHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3O2/c1-2-6-12-5-3-4(11)7(10)9(14(15)16)8(5)13-6/h3H,2H2,1H3,(H,12,13).
What are the key properties of 5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole?
5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole has a molecular weight of 304.53 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-2-ethyl-4-nitro-1H-benzimidazole is sourced from PubChem (CID 10756937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).