2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine

C13H19N3 — CID 82493436

IUPAC2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine
SMILESCCc1nc2ccc(C(CC)CN)cc2[nH]1
InChIInChI=1S/C13H19N3/c1-3-9(8-14)10-5-6-11-12(7-10)16-13(4-2)15-11/h5-7,9H,3-4,8,14H2,1-2H3,(H,15,16)
InChIKeyYCNSLDLPOPMOCE-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.58
Rot. Bonds4

About 2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine

2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine (PubChem CID 82493436) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine
PubChem CID82493436
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine
SMILESCCc1nc2ccc(C(CC)CN)cc2[nH]1
InChIInChI=1S/C13H19N3/c1-3-9(8-14)10-5-6-11-12(7-10)16-13(4-2)15-11/h5-7,9H,3-4,8,14H2,1-2H3,(H,15,16)
InChIKeyYCNSLDLPOPMOCE-UHFFFAOYSA-N
XLogP2.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-ethyl-3H-benzimidazole-5-sulfonamide
CID 60649079
2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 139799496
2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine
CID 65221447
6-[5-(4-butan-2-ylphenyl)thiophen-2-yl]-2-ethyl-1H-benzimidazole
CID 70831286
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
2-ethyl-3H-benzimidazole-5-carbonitrile
CID 70184762
N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine
CID 96673204
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine
CID 82493442
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033
2-(2-ethyl-3H-benzimidazol-5-yl)aniline
CID 58381174
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine?
The IUPAC name of 2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine (CID 82493436) is 2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine?
The canonical SMILES for 2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine is CCc1nc2ccc(C(CC)CN)cc2[nH]1.
What is the InChIKey of 2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine?
The InChIKey is YCNSLDLPOPMOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-9(8-14)10-5-6-11-12(7-10)16-13(4-2)15-11/h5-7,9H,3-4,8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine?
2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine is sourced from PubChem (CID 82493436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).