3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine

C16H18N4 — CID 79750873

IUPAC3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine
SMILESCCn1c(CCc2cccnc2N)nc2ccccc21
InChIInChI=1S/C16H18N4/c1-2-20-14-8-4-3-7-13(14)19-15(20)10-9-12-6-5-11-18-16(12)17/h3-8,11H,2,9-10H2,1H3,(H2,17,18)
InChIKeyCNRGZRQGFOYPBX-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.82
Rot. Bonds4

About 3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine

3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 79750873) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine
PubChem CID79750873
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine
SMILESCCn1c(CCc2cccnc2N)nc2ccccc21
InChIInChI=1S/C16H18N4/c1-2-20-14-8-4-3-7-13(14)19-15(20)10-9-12-6-5-11-18-16(12)17/h3-8,11H,2,9-10H2,1H3,(H2,17,18)
InChIKeyCNRGZRQGFOYPBX-UHFFFAOYSA-N
XLogP2.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 62535348
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-ethyl-2-pentylbenzimidazole
CID 3463966
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
2-[(1-ethylbenzimidazol-2-yl)methyl]pyridin-3-ol
CID 83129846
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
CID 116627019
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 55244547
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
2-(1-ethylbenzimidazol-2-yl)-1-pyridin-2-ylethanamine
CID 79753548
2-(1-ethylbenzimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79756634

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine (CID 79750873) is 3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine is CCn1c(CCc2cccnc2N)nc2ccccc21.
What is the InChIKey of 3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is CNRGZRQGFOYPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-20-14-8-4-3-7-13(14)19-15(20)10-9-12-6-5-11-18-16(12)17/h3-8,11H,2,9-10H2,1H3,(H2,17,18).
What are the key properties of 3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine?
3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 266.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 79750873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).