5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole

C17H14BrClN2 — CID 60783340

IUPAC5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole
SMILESClC(c1ccccc1)c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C17H14BrClN2/c18-12-6-9-15-14(10-12)20-17(21(15)13-7-8-13)16(19)11-4-2-1-3-5-11/h1-6,9-10,13,16H,7-8H2
InChIKeyVQHNGFGQTJZNLK-UHFFFAOYSA-N
MW361.67 g/mol
LogP5.46
Rot. Bonds3

About 5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole

5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole (PubChem CID 60783340) has the molecular formula C17H14BrClN2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole.

Molecular Properties

Compound Name5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole
PubChem CID60783340
Molecular FormulaC17H14BrClN2
Molecular Weight361.67 g/mol
Exact Mass360.00
IUPAC Name5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole
SMILESClC(c1ccccc1)c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C17H14BrClN2/c18-12-6-9-15-14(10-12)20-17(21(15)13-7-8-13)16(19)11-4-2-1-3-5-11/h1-6,9-10,13,16H,7-8H2
InChIKeyVQHNGFGQTJZNLK-UHFFFAOYSA-N
XLogP5.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.67
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
CID 54920296
2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol
CID 60783807
5-bromo-2-chloro-1-cyclopropylbenzimidazole
CID 83680821
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199
(5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115288605
1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54920295
5-bromo-2-[3-(chloromethyl)phenyl]-1-cyclopropylbenzimidazole
CID 60783497
5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole
CID 63545226
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783333
5-bromo-2-(chloromethyl)-1-(4-ethylcyclohexyl)benzimidazole
CID 63545228
5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 63494896
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
CID 82809543

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole?
The IUPAC name of 5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole (CID 60783340) is 5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole.
What is the SMILES notation for 5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole?
The canonical SMILES for 5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole is ClC(c1ccccc1)c1nc2cc(Br)ccc2n1C1CC1.
What is the InChIKey of 5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole?
The InChIKey is VQHNGFGQTJZNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2/c18-12-6-9-15-14(10-12)20-17(21(15)13-7-8-13)16(19)11-4-2-1-3-5-11/h1-6,9-10,13,16H,7-8H2.
What are the key properties of 5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole?
5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole has a molecular weight of 361.67 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole is sourced from PubChem (CID 60783340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).