7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide

C18H28N4O — CID 119866274

IUPAC7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide
SMILESCCn1c(CCNC(=O)CCCCCCN)nc2ccccc21
InChIInChI=1S/C18H28N4O/c1-2-22-16-10-7-6-9-15(16)21-17(22)12-14-20-18(23)11-5-3-4-8-13-19/h6-7,9-10H,2-5,8,11-14,19H2,1H3,(H,20,23)
InChIKeyFRCBBLRTUYVVJI-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.62
Rot. Bonds10

About 7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide

7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide (PubChem CID 119866274) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide
PubChem CID119866274
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide
SMILESCCn1c(CCNC(=O)CCCCCCN)nc2ccccc21
InChIInChI=1S/C18H28N4O/c1-2-22-16-10-7-6-9-15(16)21-17(22)12-14-20-18(23)11-5-3-4-8-13-19/h6-7,9-10H,2-5,8,11-14,19H2,1H3,(H,20,23)
InChIKeyFRCBBLRTUYVVJI-UHFFFAOYSA-N
XLogP2.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118761675
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide
CID 119678504
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866331
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119834811
N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974507
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119866339
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide (CID 119866274) is 7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide is CCn1c(CCNC(=O)CCCCCCN)nc2ccccc21.
What is the InChIKey of 7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide?
The InChIKey is FRCBBLRTUYVVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-22-16-10-7-6-9-15(16)21-17(22)12-14-20-18(23)11-5-3-4-8-13-19/h6-7,9-10H,2-5,8,11-14,19H2,1H3,(H,20,23).
What are the key properties of 7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide?
7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide has a molecular weight of 316.45 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide is sourced from PubChem (CID 119866274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).