(4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

C16H18N2O — CID 22961968

IUPAC(4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCCc1ccc(C(=O)C2CCc3nc[nH]c3C2)cc1
InChIInChI=1S/C16H18N2O/c1-2-11-3-5-12(6-4-11)16(19)13-7-8-14-15(9-13)18-10-17-14/h3-6,10,13H,2,7-9H2,1H3,(H,17,18)
InChIKeyHJARXQMOYLAZHA-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.96
Rot. Bonds3

About (4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

(4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (PubChem CID 22961968) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
PubChem CID22961968
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCCc1ccc(C(=O)C2CCc3nc[nH]c3C2)cc1
InChIInChI=1S/C16H18N2O/c1-2-11-3-5-12(6-4-11)16(19)13-7-8-14-15(9-13)18-10-17-14/h3-6,10,13H,2,7-9H2,1H3,(H,17,18)
InChIKeyHJARXQMOYLAZHA-UHFFFAOYSA-N
XLogP2.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (CID 22961968) is (4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is CCc1ccc(C(=O)C2CCc3nc[nH]c3C2)cc1.
What is the InChIKey of (4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The InChIKey is HJARXQMOYLAZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-11-3-5-12(6-4-11)16(19)13-7-8-14-15(9-13)18-10-17-14/h3-6,10,13H,2,7-9H2,1H3,(H,17,18).
What are the key properties of (4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
(4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone has a molecular weight of 254.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 22961968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).