(4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone

C18H18N2O2 — CID 842418

IUPAC(4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone
SMILESCOc1ccc(C(=O)c2nc3ccccc3n2C(C)C)cc1
InChIInChI=1S/C18H18N2O2/c1-12(2)20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-3)11-9-13/h4-12H,1-3H3
InChIKeyXMXCRBZUGKPCPC-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.86
Rot. Bonds4

About (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone

(4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone (PubChem CID 842418) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone
PubChem CID842418
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone
SMILESCOc1ccc(C(=O)c2nc3ccccc3n2C(C)C)cc1
InChIInChI=1S/C18H18N2O2/c1-12(2)20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-3)11-9-13/h4-12H,1-3H3
InChIKeyXMXCRBZUGKPCPC-UHFFFAOYSA-N
XLogP3.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
Mchb-1
CID 44561533
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl][1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]methanone
CID 10917690
N,N-diisopentyl-2-(4-methoxybenzoyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432966
1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
CID 962281
2-Methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 790960
1-((2-Methoxyphenyl)methyl)-2-methyl-1H-benzimidazole
CID 940002
(1-Ethyl-1H-benzoimidazol-2-yl)-(4-methoxy-benzyl)-amine
CID 1087008

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone (CID 842418) is (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone is COc1ccc(C(=O)c2nc3ccccc3n2C(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone?
The InChIKey is XMXCRBZUGKPCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(2)20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-3)11-9-13/h4-12H,1-3H3.
What are the key properties of (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone?
(4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone is sourced from PubChem (CID 842418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).