5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine

C12H8Cl2N4 — CID 82001524

IUPAC5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
SMILESNc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cn1
InChIInChI=1S/C12H8Cl2N4/c13-7-3-9-10(4-8(7)14)18-12(17-9)6-1-2-11(15)16-5-6/h1-5H,(H2,15,16)(H,17,18)
InChIKeyPGVBWJCCLSVCKQ-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.51
Rot. Bonds1

About 5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine

5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine (PubChem CID 82001524) has the molecular formula C12H8Cl2N4 and a molecular weight of 279.13 g/mol. Its IUPAC name is 5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
PubChem CID82001524
Molecular FormulaC12H8Cl2N4
Molecular Weight279.13 g/mol
Exact Mass278.01
IUPAC Name5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
SMILESNc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cn1
InChIInChI=1S/C12H8Cl2N4/c13-7-3-9-10(4-8(7)14)18-12(17-9)6-1-2-11(15)16-5-6/h1-5H,(H2,15,16)(H,17,18)
InChIKeyPGVBWJCCLSVCKQ-UHFFFAOYSA-N
XLogP3.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369
6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine
CID 82005407
6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82001599
5,6-dichloro-2-(3,5-difluorophenyl)-1H-benzimidazole
CID 82005304
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
CID 82001058
3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine
CID 82004279
5-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 63259845
2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
CID 78912113
4-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine
CID 82001359

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine (CID 82001524) is 5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine is Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cn1.
What is the InChIKey of 5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine?
The InChIKey is PGVBWJCCLSVCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4/c13-7-3-9-10(4-8(7)14)18-12(17-9)6-1-2-11(15)16-5-6/h1-5H,(H2,15,16)(H,17,18).
What are the key properties of 5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine?
5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine has a molecular weight of 279.13 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 82001524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).