2-[(1-ethylbenzimidazol-2-yl)methyl]aniline

C16H17N3 — CID 62535348

IUPAC2-[(1-ethylbenzimidazol-2-yl)methyl]aniline
SMILESCCn1c(Cc2ccccc2N)nc2ccccc21
InChIInChI=1S/C16H17N3/c1-2-19-15-10-6-5-9-14(15)18-16(19)11-12-7-3-4-8-13(12)17/h3-10H,2,11,17H2,1H3
InChIKeyZFSBHPFJNJDEFD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.23
Rot. Bonds3

About 2-[(1-ethylbenzimidazol-2-yl)methyl]aniline

2-[(1-ethylbenzimidazol-2-yl)methyl]aniline (PubChem CID 62535348) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(1-ethylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(1-ethylbenzimidazol-2-yl)methyl]aniline
PubChem CID62535348
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-[(1-ethylbenzimidazol-2-yl)methyl]aniline
SMILESCCn1c(Cc2ccccc2N)nc2ccccc21
InChIInChI=1S/C16H17N3/c1-2-19-15-10-6-5-9-14(15)18-16(19)11-12-7-3-4-8-13(12)17/h3-10H,2,11,17H2,1H3
InChIKeyZFSBHPFJNJDEFD-UHFFFAOYSA-N
XLogP3.23
TPSA43.84 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol
CID 83128665
4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
CID 43142753
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde
CID 106886542
3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine
CID 79750873
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol
CID 107272675
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
CID 59065201
CID 59065201
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde
CID 105408180

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-[(1-ethylbenzimidazol-2-yl)methyl]aniline (CID 62535348) is 2-[(1-ethylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-[(1-ethylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-[(1-ethylbenzimidazol-2-yl)methyl]aniline is CCn1c(Cc2ccccc2N)nc2ccccc21.
What is the InChIKey of 2-[(1-ethylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is ZFSBHPFJNJDEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-19-15-10-6-5-9-14(15)18-16(19)11-12-7-3-4-8-13(12)17/h3-10H,2,11,17H2,1H3.
What are the key properties of 2-[(1-ethylbenzimidazol-2-yl)methyl]aniline?
2-[(1-ethylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 251.33 g/mol, XLogP of 3.23, 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)methyl]aniline is sourced from PubChem (CID 62535348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).