2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine

C15H22N4O — CID 96680191

IUPAC2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine
SMILESCCc1nc2ccc(NCCN3CCOCC3)cc2[nH]1
InChIInChI=1S/C15H22N4O/c1-2-15-17-13-4-3-12(11-14(13)18-15)16-5-6-19-7-9-20-10-8-19/h3-4,11,16H,2,5-10H2,1H3,(H,17,18)
InChIKeyRELDNAUIQYBYQZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.87
Rot. Bonds5

About 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine

2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine (PubChem CID 96680191) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine
PubChem CID96680191
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine
SMILESCCc1nc2ccc(NCCN3CCOCC3)cc2[nH]1
InChIInChI=1S/C15H22N4O/c1-2-15-17-13-4-3-12(11-14(13)18-15)16-5-6-19-7-9-20-10-8-19/h3-4,11,16H,2,5-10H2,1H3,(H,17,18)
InChIKeyRELDNAUIQYBYQZ-UHFFFAOYSA-N
XLogP1.87
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765508
N-(2-morpholin-4-ylethyl)-1H-indol-6-amine
CID 69376753
2-methyl-6-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 137308278
N-(2-morpholin-4-ylethyl)-1H-indol-5-amine
CID 82539146
2-[[[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]amino]methylidene]propanedinitrile
CID 168543114
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
N-(2-morpholin-4-ylethyl)-2-(6-nitro-1H-indazol-3-yl)-3H-benzimidazol-5-amine
CID 135820230
3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine
CID 134084462
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 151335568
1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine
CID 46189572

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine (CID 96680191) is 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine is CCc1nc2ccc(NCCN3CCOCC3)cc2[nH]1.
What is the InChIKey of 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine?
The InChIKey is RELDNAUIQYBYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-15-17-13-4-3-12(11-14(13)18-15)16-5-6-19-7-9-20-10-8-19/h3-4,11,16H,2,5-10H2,1H3,(H,17,18).
What are the key properties of 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine?
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine has a molecular weight of 274.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 96680191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).