2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile

C14H8BrClN4 — CID 65345207

IUPAC2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1-n1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C14H8BrClN4/c15-9-2-4-11-13(5-9)20(14(18)19-11)12-6-10(16)3-1-8(12)7-17/h1-6H,(H2,18,19)
InChIKeyNZQSBFNDHNNMIF-UHFFFAOYSA-N
MW347.60 g/mol
LogP3.90
Rot. Bonds1

About 2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile

2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile (PubChem CID 65345207) has the molecular formula C14H8BrClN4 and a molecular weight of 347.60 g/mol. Its IUPAC name is 2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile
PubChem CID65345207
Molecular FormulaC14H8BrClN4
Molecular Weight347.60 g/mol
Exact Mass345.96
IUPAC Name2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1-n1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C14H8BrClN4/c15-9-2-4-11-13(5-9)20(14(18)19-11)12-6-10(16)3-1-8(12)7-17/h1-6H,(H2,18,19)
InChIKeyNZQSBFNDHNNMIF-UHFFFAOYSA-N
XLogP3.90
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.60
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile?
The IUPAC name of 2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile (CID 65345207) is 2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile.
What is the SMILES notation for 2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile?
The canonical SMILES for 2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile is N#Cc1ccc(Cl)cc1-n1c(N)nc2ccc(Br)cc21.
What is the InChIKey of 2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile?
The InChIKey is NZQSBFNDHNNMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN4/c15-9-2-4-11-13(5-9)20(14(18)19-11)12-6-10(16)3-1-8(12)7-17/h1-6H,(H2,18,19).
What are the key properties of 2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile?
2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile has a molecular weight of 347.60 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile is sourced from PubChem (CID 65345207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).