CID 59065201

C11H14BN2 — CID 59065201

IUPAC—
SMILESC[B]Cc1nc2ccccc2n1CC
InChIInChI=1S/C11H14BN2/c1-3-14-10-7-5-4-6-9(10)13-11(14)8-12-2/h4-7H,3,8H2,1-2H3
InChIKeyWQYYCBIAMYEBAX-UHFFFAOYSA-N
MW185.06 g/mol
LogP2.31
Rot. Bonds3

About CID 59065201

CID 59065201 (PubChem CID 59065201) has the molecular formula C11H14BN2 and a molecular weight of 185.06 g/mol.

Molecular Properties

Compound NameCID 59065201
PubChem CID59065201
Molecular FormulaC11H14BN2
Molecular Weight185.06 g/mol
Exact Mass185.13
IUPAC Name—
SMILESC[B]Cc1nc2ccccc2n1CC
InChIInChI=1S/C11H14BN2/c1-3-14-10-7-5-4-6-9(10)13-11(14)8-12-2/h4-7H,3,8H2,1-2H3
InChIKeyWQYYCBIAMYEBAX-UHFFFAOYSA-N
XLogP2.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-ethyl-2-pentylbenzimidazole
CID 3463966
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 102336325
1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115400992
4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
CID 43142753
2-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 62535348

Frequently Asked Questions

What is the IUPAC name of CID 59065201?
The IUPAC name of CID 59065201 (CID 59065201) is not available.
What is the SMILES notation for CID 59065201?
The canonical SMILES for CID 59065201 is C[B]Cc1nc2ccccc2n1CC.
What is the InChIKey of CID 59065201?
The InChIKey is WQYYCBIAMYEBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BN2/c1-3-14-10-7-5-4-6-9(10)13-11(14)8-12-2/h4-7H,3,8H2,1-2H3.
What are the key properties of CID 59065201?
CID 59065201 has a molecular weight of 185.06 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59065201 is sourced from PubChem (CID 59065201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).