N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide

C15H22N4O — CID 82150212

IUPACN-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
SMILESCC(C)c1nc2ccccc2n1CCC(=O)NCCN
InChIInChI=1S/C15H22N4O/c1-11(2)15-18-12-5-3-4-6-13(12)19(15)10-7-14(20)17-9-8-16/h3-6,11H,7-10,16H2,1-2H3,(H,17,20)
InChIKeyXWWHXKBWNWWDFS-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.62
Rot. Bonds6

About N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide

N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide (PubChem CID 82150212) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
PubChem CID82150212
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
SMILESCC(C)c1nc2ccccc2n1CCC(=O)NCCN
InChIInChI=1S/C15H22N4O/c1-11(2)15-18-12-5-3-4-6-13(12)19(15)10-7-14(20)17-9-8-16/h3-6,11H,7-10,16H2,1-2H3,(H,17,20)
InChIKeyXWWHXKBWNWWDFS-UHFFFAOYSA-N
XLogP1.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 3627686
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 82144555
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324347
5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 104684754
N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide
CID 91520184
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide (CID 82150212) is N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide is CC(C)c1nc2ccccc2n1CCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide?
The InChIKey is XWWHXKBWNWWDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)15-18-12-5-3-4-6-13(12)19(15)10-7-14(20)17-9-8-16/h3-6,11H,7-10,16H2,1-2H3,(H,17,20).
What are the key properties of N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide?
N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide has a molecular weight of 274.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 82150212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).