2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine

C13H19N3 — CID 62675893

IUPAC2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine
SMILESCCn1c(C(C)CN)nc2cc(C)ccc21
InChIInChI=1S/C13H19N3/c1-4-16-12-6-5-9(2)7-11(12)15-13(16)10(3)8-14/h5-7,10H,4,8,14H2,1-3H3
InChIKeyRYQXNHWXULQDNE-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.43
Rot. Bonds3

About 2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine

2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine (PubChem CID 62675893) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine
PubChem CID62675893
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine
SMILESCCn1c(C(C)CN)nc2cc(C)ccc21
InChIInChI=1S/C13H19N3/c1-4-16-12-6-5-9(2)7-11(12)15-13(16)10(3)8-14/h5-7,10H,4,8,14H2,1-3H3
InChIKeyRYQXNHWXULQDNE-UHFFFAOYSA-N
XLogP2.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol
CID 60785614
2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol
CID 66165447
2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65221305
2-bromo-1-ethyl-5-methylbenzimidazole
CID 84799459
[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine
CID 65038202
3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835397
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
CID 82332995
3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333059
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333047
5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine
CID 65284176

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine (CID 62675893) is 2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine is CCn1c(C(C)CN)nc2cc(C)ccc21.
What is the InChIKey of 2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is RYQXNHWXULQDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-16-12-6-5-9(2)7-11(12)15-13(16)10(3)8-14/h5-7,10H,4,8,14H2,1-3H3.
What are the key properties of 2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine?
2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 62675893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).