N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide

C14H20N4O — CID 96677688

IUPACN-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide
SMILESCCn1c(C)nc2cc(CC(=O)NCCN)ccc21
InChIInChI=1S/C14H20N4O/c1-3-18-10(2)17-12-8-11(4-5-13(12)18)9-14(19)16-7-6-15/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,19)
InChIKeyNTLIRYALIVVXHH-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.98
Rot. Bonds5

About N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide

N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide (PubChem CID 96677688) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide
PubChem CID96677688
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide
SMILESCCn1c(C)nc2cc(CC(=O)NCCN)ccc21
InChIInChI=1S/C14H20N4O/c1-3-18-10(2)17-12-8-11(4-5-13(12)18)9-14(19)16-7-6-15/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,19)
InChIKeyNTLIRYALIVVXHH-UHFFFAOYSA-N
XLogP0.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethyl-2-methylbenzimidazol-5-yl)ethanol
CID 82491893
1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82495604
3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
CID 115153026
1-ethyl-2-methyl-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzimidazole-5-carbohydrazide
CID 24534673
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
CID 116843404
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
2-bromo-1-(1-ethyl-2-methylbenzimidazol-5-yl)ethanone
CID 87941694
5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid
CID 84786621
3-(1-ethyl-2-methylbenzimidazol-5-yl)propanenitrile
CID 82492713

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide (CID 96677688) is N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide is CCn1c(C)nc2cc(CC(=O)NCCN)ccc21.
What is the InChIKey of N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide?
The InChIKey is NTLIRYALIVVXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-18-10(2)17-12-8-11(4-5-13(12)18)9-14(19)16-7-6-15/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,19).
What are the key properties of N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide?
N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(1-ethyl-2-methylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 96677688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).