1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole

C14H18N2 — CID 115761322

IUPAC1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(CC3CCC3)c2cc1C
InChIInChI=1S/C14H18N2/c1-10-6-13-14(7-11(10)2)16(9-15-13)8-12-4-3-5-12/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyWYRDVUKMSFOCHH-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.45
Rot. Bonds2

About 1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole

1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole (PubChem CID 115761322) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole
PubChem CID115761322
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(CC3CCC3)c2cc1C
InChIInChI=1S/C14H18N2/c1-10-6-13-14(7-11(10)2)16(9-15-13)8-12-4-3-5-12/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyWYRDVUKMSFOCHH-UHFFFAOYSA-N
XLogP3.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole
CID 115582514
[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine
CID 62447770
(2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one
CID 97159914
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine
CID 61387648
1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
CID 154455825
1-cyclopentyl-5,6-dimethylbenzimidazole
CID 115900464
1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane
CID 145068592
3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid
CID 82791377
1-[[1-(bromomethyl)cycloheptyl]methyl]-5,6-dimethylbenzimidazole
CID 65010583
1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one;oxalic acid
CID 71780874
5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole
CID 174768083
1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine
CID 114130078

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole (CID 115761322) is 1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole is Cc1cc2ncn(CC3CCC3)c2cc1C.
What is the InChIKey of 1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole?
The InChIKey is WYRDVUKMSFOCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-6-13-14(7-11(10)2)16(9-15-13)8-12-4-3-5-12/h6-7,9,12H,3-5,8H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole?
1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole has a molecular weight of 214.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole is sourced from PubChem (CID 115761322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).