1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine

C18H25N3 — CID 62734834

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
SMILESCCn1c(CNCC2CC3CCC2C3)nc2ccccc21
InChIInChI=1S/C18H25N3/c1-2-21-17-6-4-3-5-16(17)20-18(21)12-19-11-15-10-13-7-8-14(15)9-13/h3-6,13-15,19H,2,7-12H2,1H3
InChIKeyFWARYBHQSTWUJE-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine (PubChem CID 62734834) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
PubChem CID62734834
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
SMILESCCn1c(CNCC2CC3CCC2C3)nc2ccccc21
InChIInChI=1S/C18H25N3/c1-2-21-17-6-4-3-5-16(17)20-18(21)12-19-11-15-10-13-7-8-14(15)9-13/h3-6,13-15,19H,2,7-12H2,1H3
InChIKeyFWARYBHQSTWUJE-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411845
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole
CID 116622454
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668
1-(1,1-dioxothiolan-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 81043351
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97060170
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993863
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 18120767

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine (CID 62734834) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine is CCn1c(CNCC2CC3CCC2C3)nc2ccccc21.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine?
The InChIKey is FWARYBHQSTWUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-21-17-6-4-3-5-16(17)20-18(21)12-19-11-15-10-13-7-8-14(15)9-13/h3-6,13-15,19H,2,7-12H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine has a molecular weight of 283.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 62734834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).