2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole

C16H13BrCl2N2 — CID 68720916

IUPAC2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole
SMILESCCCn1c(-c2ccc(Br)c(Cl)c2)nc2cccc(Cl)c21
InChIInChI=1S/C16H13BrCl2N2/c1-2-8-21-15-12(18)4-3-5-14(15)20-16(21)10-6-7-11(17)13(19)9-10/h3-7,9H,2,8H2,1H3
InChIKeyCAKMGHJKXABXOU-UHFFFAOYSA-N
MW384.10 g/mol
LogP6.18
Rot. Bonds3

About 2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole

2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole (PubChem CID 68720916) has the molecular formula C16H13BrCl2N2 and a molecular weight of 384.10 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole
PubChem CID68720916
Molecular FormulaC16H13BrCl2N2
Molecular Weight384.10 g/mol
Exact Mass381.96
IUPAC Name2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole
SMILESCCCn1c(-c2ccc(Br)c(Cl)c2)nc2cccc(Cl)c21
InChIInChI=1S/C16H13BrCl2N2/c1-2-8-21-15-12(18)4-3-5-14(15)20-16(21)10-6-7-11(17)13(19)9-10/h3-7,9H,2,8H2,1H3
InChIKeyCAKMGHJKXABXOU-UHFFFAOYSA-N
XLogP6.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.10
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole
CID 68721057
7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole
CID 86629817
2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol
CID 136872106
5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine
CID 68735523
3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60788262
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068
3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole
CID 115395002
2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid
CID 81291998
5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
CID 141221179
2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine
CID 62853512
5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine
CID 55166004
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline
CID 60785537

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole (CID 68720916) is 2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole is CCCn1c(-c2ccc(Br)c(Cl)c2)nc2cccc(Cl)c21.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole?
The InChIKey is CAKMGHJKXABXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2/c1-2-8-21-15-12(18)4-3-5-14(15)20-16(21)10-6-7-11(17)13(19)9-10/h3-7,9H,2,8H2,1H3.
What are the key properties of 2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole?
2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole has a molecular weight of 384.10 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole is sourced from PubChem (CID 68720916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).