(2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone

C19H20N2O2 — CID 134133618

IUPAC(2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2c(C(C)(C)C)nc3ccccc32)cc1
InChIInChI=1S/C19H20N2O2/c1-19(2,3)18-20-15-7-5-6-8-16(15)21(18)17(22)13-9-11-14(23-4)12-10-13/h5-12H,1-4H3
InChIKeyHGAVVRICQYZBRK-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.03
Rot. Bonds2

About (2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone

(2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 134133618) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone
PubChem CID134133618
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2c(C(C)(C)C)nc3ccccc32)cc1
InChIInChI=1S/C19H20N2O2/c1-19(2,3)18-20-15-7-5-6-8-16(15)21(18)17(22)13-9-11-14(23-4)12-10-13/h5-12H,1-4H3
InChIKeyHGAVVRICQYZBRK-UHFFFAOYSA-N
XLogP4.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-tert-butylbenzimidazol-1-yl)-(4-phenylphenyl)methanone
CID 175870012
(4-methoxyphenyl)-(2-prop-2-enylsulfanylbenzimidazol-1-yl)methanone
CID 4228084
2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 17000405
(4-methoxyphenyl)-(2-sulfanylidene-1,3-benzoxazol-3-yl)methanone
CID 683815
(4-methoxyphenyl)-(3-methylcarbazol-9-yl)methanone
CID 71534571
(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate
CID 67949207
(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone
CID 177379362
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 2850347
N-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
CID 3744978
3-(2-tert-butylbenzimidazol-1-yl)butan-2-one
CID 17000493
(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
CID 1088433
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone (CID 134133618) is (2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2c(C(C)(C)C)nc3ccccc32)cc1.
What is the InChIKey of (2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is HGAVVRICQYZBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-19(2,3)18-20-15-7-5-6-8-16(15)21(18)17(22)13-9-11-14(23-4)12-10-13/h5-12H,1-4H3.
What are the key properties of (2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone?
(2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 308.38 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 134133618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).