2-(1-ethylbenzimidazol-2-yl)-N-methylaniline

C16H17N3 — CID 43142634

IUPAC2-(1-ethylbenzimidazol-2-yl)-N-methylaniline
SMILESCCn1c(-c2ccccc2NC)nc2ccccc21
InChIInChI=1S/C16H17N3/c1-3-19-15-11-7-6-10-14(15)18-16(19)12-8-4-5-9-13(12)17-2/h4-11,17H,3H2,1-2H3
InChIKeyRRZLCSOKBGLALQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.76
Rot. Bonds3

About 2-(1-ethylbenzimidazol-2-yl)-N-methylaniline

2-(1-ethylbenzimidazol-2-yl)-N-methylaniline (PubChem CID 43142634) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-N-methylaniline
PubChem CID43142634
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-N-methylaniline
SMILESCCn1c(-c2ccccc2NC)nc2ccccc21
InChIInChI=1S/C16H17N3/c1-3-19-15-11-7-6-10-14(15)18-16(19)12-8-4-5-9-13(12)17-2/h4-11,17H,3H2,1-2H3
InChIKeyRRZLCSOKBGLALQ-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-N-methylaniline?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-N-methylaniline (CID 43142634) is 2-(1-ethylbenzimidazol-2-yl)-N-methylaniline.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-N-methylaniline?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-N-methylaniline is CCn1c(-c2ccccc2NC)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-N-methylaniline?
The InChIKey is RRZLCSOKBGLALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-3-19-15-11-7-6-10-14(15)18-16(19)12-8-4-5-9-13(12)17-2/h4-11,17H,3H2,1-2H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-N-methylaniline?
2-(1-ethylbenzimidazol-2-yl)-N-methylaniline has a molecular weight of 251.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-N-methylaniline is sourced from PubChem (CID 43142634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).