CID 145327229

C13H11BN2 — CID 145327229

IUPAC—
SMILES[B]c1ccc2c(c1)N(c1ccccc1)CN2
InChIInChI=1S/C13H11BN2/c14-10-6-7-12-13(8-10)16(9-15-12)11-4-2-1-3-5-11/h1-8,15H,9H2
InChIKeyBIEJHAFENQQNMV-UHFFFAOYSA-N
MW206.06 g/mol
LogP2.00
Rot. Bonds1

About CID 145327229

CID 145327229 (PubChem CID 145327229) has the molecular formula C13H11BN2 and a molecular weight of 206.06 g/mol.

Molecular Properties

Compound NameCID 145327229
PubChem CID145327229
Molecular FormulaC13H11BN2
Molecular Weight206.06 g/mol
Exact Mass206.10
IUPAC Name—
SMILES[B]c1ccc2c(c1)N(c1ccccc1)CN2
InChIInChI=1S/C13H11BN2/c14-10-6-7-12-13(8-10)16(9-15-12)11-4-2-1-3-5-11/h1-8,15H,9H2
InChIKeyBIEJHAFENQQNMV-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.06
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-phenyl-1,2-dihydrobenzimidazole
CID 174351589
4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile
CID 117007124
1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole
CID 66648186
1-phenyl-2,3-dihydroimidazo[4,5-b]pyridine
CID 139666855
4-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)benzoic acid
CID 117030520
8-bromo-6-phenyl-1,3,4,5-tetrahydro-1,6-benzodiazocin-2-one
CID 79291188
2-chloro-7-phenyl-8,9-dihydropurine
CID 178075727
3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline
CID 117030500
3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole
CID 118297354
7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one
CID 79290826
3-naphthalen-1-yl-1,2-dihydrobenzimidazole
CID 68549243
3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 123487149

Frequently Asked Questions

What is the IUPAC name of CID 145327229?
The IUPAC name of CID 145327229 (CID 145327229) is not available.
What is the SMILES notation for CID 145327229?
The canonical SMILES for CID 145327229 is [B]c1ccc2c(c1)N(c1ccccc1)CN2.
What is the InChIKey of CID 145327229?
The InChIKey is BIEJHAFENQQNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BN2/c14-10-6-7-12-13(8-10)16(9-15-12)11-4-2-1-3-5-11/h1-8,15H,9H2.
What are the key properties of CID 145327229?
CID 145327229 has a molecular weight of 206.06 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145327229 is sourced from PubChem (CID 145327229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).