2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole

C12H12N4O — CID 146024352

IUPAC2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole
SMILESCOc1ccc2c(c1)nc(-c1cnc[nH]1)n2C
InChIInChI=1S/C12H12N4O/c1-16-11-4-3-8(17-2)5-9(11)15-12(16)10-6-13-7-14-10/h3-7H,1-2H3,(H,13,14)
InChIKeyUWIQMOQSAJNRBV-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.97
Rot. Bonds2

About 2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole

2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole (PubChem CID 146024352) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole
PubChem CID146024352
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole
SMILESCOc1ccc2c(c1)nc(-c1cnc[nH]1)n2C
InChIInChI=1S/C12H12N4O/c1-16-11-4-3-8(17-2)5-9(11)15-12(16)10-6-13-7-14-10/h3-7H,1-2H3,(H,13,14)
InChIKeyUWIQMOQSAJNRBV-UHFFFAOYSA-N
XLogP1.97
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-methoxynaphthalen-2-yl)-1H-imidazole
CID 122368222
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
3-(5-methoxy-1-methylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928305
N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline
CID 146024291
2-(difluoromethyl)-5-methoxy-1-methylbenzimidazole
CID 145162362
5-methoxy-1-methyl-2-(6-methyl-1-azacyclohepta-1,2,4,6-tetraen-4-yl)benzimidazole
CID 123421729
2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole
CID 146024274
2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
CID 82334255
2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol
CID 146024273
2-(3-ethylsulfonyl-2-pyridinyl)-5-methoxy-1-methylbenzimidazole
CID 118581574
9-methoxy-5-methylindolo[2,3-b]quinoxaline
CID 3983680
2-[2-(4-chlorophenyl)ethenyl]-5-methoxy-1-methylbenzimidazole
CID 54158091

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole?
The IUPAC name of 2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole (CID 146024352) is 2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole?
The canonical SMILES for 2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole is COc1ccc2c(c1)nc(-c1cnc[nH]1)n2C.
What is the InChIKey of 2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole?
The InChIKey is UWIQMOQSAJNRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16-11-4-3-8(17-2)5-9(11)15-12(16)10-6-13-7-14-10/h3-7H,1-2H3,(H,13,14).
What are the key properties of 2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole?
2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole has a molecular weight of 228.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-5-methoxy-1-methylbenzimidazole is sourced from PubChem (CID 146024352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).