1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole

C17H22N2 — CID 116622454

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CC1CC2CCC1C2
InChIInChI=1S/C17H22N2/c1-2-17-18-15-5-3-4-6-16(15)19(17)11-14-10-12-7-8-13(14)9-12/h3-6,12-14H,2,7-11H2,1H3
InChIKeyNDUQHXPUGIQWAZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.03
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole

1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole (PubChem CID 116622454) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole
PubChem CID116622454
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CC1CC2CCC1C2
InChIInChI=1S/C17H22N2/c1-2-17-18-15-5-3-4-6-16(15)19(17)11-14-10-12-7-8-13(14)9-12/h3-6,12-14H,2,7-11H2,1H3
InChIKeyNDUQHXPUGIQWAZ-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 62734834
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 115818459
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79273203
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838143
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine
CID 79549808
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 18120767
2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole
CID 102901096
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine
CID 66082195
N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine
CID 63106717
N-ethyl-N-[(2-ethylbenzimidazol-1-yl)methyl]ethanamine
CID 54753686

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole (CID 116622454) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole is CCc1nc2ccccc2n1CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole?
The InChIKey is NDUQHXPUGIQWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-17-18-15-5-3-4-6-16(15)19(17)11-14-10-12-7-8-13(14)9-12/h3-6,12-14H,2,7-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole?
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole has a molecular weight of 254.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole is sourced from PubChem (CID 116622454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).