(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide

C14H20N4O — CID 119866308

IUPAC(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
SMILESCCn1c(CCNC(=O)[C@@H](C)N)nc2ccccc21
InChIInChI=1S/C14H20N4O/c1-3-18-12-7-5-4-6-11(12)17-13(18)8-9-16-14(19)10(2)15/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyCYRQLGBQTILBQP-SNVBAGLBSA-N
MW260.34 g/mol
LogP1.06
Rot. Bonds5

About (2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide

(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide (PubChem CID 119866308) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
PubChem CID119866308
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
SMILESCCn1c(CCNC(=O)[C@@H](C)N)nc2ccccc21
InChIInChI=1S/C14H20N4O/c1-3-18-12-7-5-4-6-11(12)17-13(18)8-9-16-14(19)10(2)15/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyCYRQLGBQTILBQP-SNVBAGLBSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 119866298
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866331
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119866315
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131940714
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341
7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide
CID 119866274
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
CID 79750125

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide (CID 119866308) is (2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide is CCn1c(CCNC(=O)[C@@H](C)N)nc2ccccc21.
What is the InChIKey of (2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide?
The InChIKey is CYRQLGBQTILBQP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-18-12-7-5-4-6-11(12)17-13(18)8-9-16-14(19)10(2)15/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,19)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide?
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 119866308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).