2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane

C19H28N2Si — CID 46177105

IUPAC2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane
SMILESCc1nc2ccccc2n1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H28N2Si/c1-14(2)22(15(3)4,16(5)6)13-12-21-17(7)20-18-10-8-9-11-19(18)21/h8-11,14-16H,1-7H3
InChIKeyHSDFORJCMGJWMI-UHFFFAOYSA-N
MW312.53 g/mol
LogP5.37
Rot. Bonds3

About 2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane

2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 46177105) has the molecular formula C19H28N2Si and a molecular weight of 312.53 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID46177105
Molecular FormulaC19H28N2Si
Molecular Weight312.53 g/mol
Exact Mass312.20
IUPAC Name2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane
SMILESCc1nc2ccccc2n1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H28N2Si/c1-14(2)22(15(3)4,16(5)6)13-12-21-17(7)20-18-10-8-9-11-19(18)21/h8-11,14-16H,1-7H3
InChIKeyHSDFORJCMGJWMI-UHFFFAOYSA-N
XLogP5.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.53
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylbenzimidazole-1-carbonitrile
CID 10942715
3-(2-methylbenzimidazol-1-yl)butan-2-amine
CID 61351774
trimethyl-(2-methylbenzimidazol-1-yl)silane
CID 12646875
1-(1-chloropropan-2-yl)-2-methylbenzimidazole
CID 21239359
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
(2-methylbenzimidazol-1-yl) thiohypofluorite
CID 142077046
4-(2-methylbenzimidazol-1-yl)butanenitrile
CID 24690449
2-methyl-N-phenylbenzimidazole-1-carbothioamide
CID 21206381
1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
CID 43823548
methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride
CID 122182169

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane (CID 46177105) is 2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane is Cc1nc2ccccc2n1C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is HSDFORJCMGJWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2Si/c1-14(2)22(15(3)4,16(5)6)13-12-21-17(7)20-18-10-8-9-11-19(18)21/h8-11,14-16H,1-7H3.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane?
2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 312.53 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 46177105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).