2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine

C14H22N4 — CID 43513808

IUPAC2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
SMILESCCN(CCc1nc2ccc(N)cc2[nH]1)C(C)C
InChIInChI=1S/C14H22N4/c1-4-18(10(2)3)8-7-14-16-12-6-5-11(15)9-13(12)17-14/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyZZECPWMWHHFDQD-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.42
Rot. Bonds5

About 2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine

2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine (PubChem CID 43513808) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
PubChem CID43513808
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
SMILESCCN(CCc1nc2ccc(N)cc2[nH]1)C(C)C
InChIInChI=1S/C14H22N4/c1-4-18(10(2)3)8-7-14-16-12-6-5-11(15)9-13(12)17-14/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyZZECPWMWHHFDQD-UHFFFAOYSA-N
XLogP2.42
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine
CID 55001133
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991418
2-butyl-3H-benzimidazol-5-amine
CID 23301932
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693003
2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide
CID 103101302
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
2-(2-butan-2-ylsulfanylethyl)-3H-benzimidazol-5-amine
CID 43513849
2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 107397319
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728
2-[2-(3-methylbutylsulfonyl)ethyl]-3H-benzimidazol-5-amine
CID 107751734
2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine
CID 112602881

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine (CID 43513808) is 2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine is CCN(CCc1nc2ccc(N)cc2[nH]1)C(C)C.
What is the InChIKey of 2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine?
The InChIKey is ZZECPWMWHHFDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-18(10(2)3)8-7-14-16-12-6-5-11(15)9-13(12)17-14/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine?
2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine has a molecular weight of 246.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 43513808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).