azane;2-phenyl-1H-benzimidazole

C13H13N3 — CID 172858780

IUPACazane;2-phenyl-1H-benzimidazole
SMILESN.c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H10N2.H3N/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;/h1-9H,(H,14,15);1H3
InChIKeyPPGZRXVNHJPFDY-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.39
Rot. Bonds1

About azane;2-phenyl-1H-benzimidazole

azane;2-phenyl-1H-benzimidazole (PubChem CID 172858780) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is azane;2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Nameazane;2-phenyl-1H-benzimidazole
PubChem CID172858780
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Nameazane;2-phenyl-1H-benzimidazole
SMILESN.c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H10N2.H3N/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;/h1-9H,(H,14,15);1H3
InChIKeyPPGZRXVNHJPFDY-UHFFFAOYSA-N
XLogP3.39
TPSA63.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 173061121
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
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2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
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CID 67481934
2-pyridin-1-ium-3-yl-1H-benzimidazole
CID 3421293
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2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
2-phenyl-1H-benzo[f]benzimidazole
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Frequently Asked Questions

What is the IUPAC name of azane;2-phenyl-1H-benzimidazole?
The IUPAC name of azane;2-phenyl-1H-benzimidazole (CID 172858780) is azane;2-phenyl-1H-benzimidazole.
What is the SMILES notation for azane;2-phenyl-1H-benzimidazole?
The canonical SMILES for azane;2-phenyl-1H-benzimidazole is N.c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of azane;2-phenyl-1H-benzimidazole?
The InChIKey is PPGZRXVNHJPFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.H3N/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;/h1-9H,(H,14,15);1H3.
What are the key properties of azane;2-phenyl-1H-benzimidazole?
azane;2-phenyl-1H-benzimidazole has a molecular weight of 211.27 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-phenyl-1H-benzimidazole is sourced from PubChem (CID 172858780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).