4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile

C15H11ClN4O — CID 104849631

IUPAC4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1-n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C15H11ClN4O/c1-21-14-6-9(8-17)2-4-13(14)20-12-5-3-10(16)7-11(12)19-15(20)18/h2-7H,1H3,(H2,18,19)
InChIKeyPUHIUJUZHUMDRL-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.14
Rot. Bonds2

About 4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile

4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile (PubChem CID 104849631) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile
PubChem CID104849631
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1-n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C15H11ClN4O/c1-21-14-6-9(8-17)2-4-13(14)20-12-5-3-10(16)7-11(12)19-15(20)18/h2-7H,1H3,(H2,18,19)
InChIKeyPUHIUJUZHUMDRL-UHFFFAOYSA-N
XLogP3.14
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-(2-methoxyphenyl)benzimidazol-2-amine
CID 43659394
2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714937
4-(5-amino-2-methylbenzimidazol-1-yl)-3-methoxybenzonitrile
CID 104850058
2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714757
5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine
CID 103415731
6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine
CID 115470423
2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
CID 107809125
2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714818
4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809094
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809092
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43659570

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile?
The IUPAC name of 4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile (CID 104849631) is 4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile.
What is the SMILES notation for 4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile?
The canonical SMILES for 4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile is COc1cc(C#N)ccc1-n1c(N)nc2cc(Cl)ccc21.
What is the InChIKey of 4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile?
The InChIKey is PUHIUJUZHUMDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c1-21-14-6-9(8-17)2-4-13(14)20-12-5-3-10(16)7-11(12)19-15(20)18/h2-7H,1H3,(H2,18,19).
What are the key properties of 4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile?
4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile has a molecular weight of 298.73 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile is sourced from PubChem (CID 104849631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).