7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide

C16H24N4O — CID 119678504

IUPAC7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide
SMILESCCn1c(NC(=O)CCCCCCN)nc2ccccc21
InChIInChI=1S/C16H24N4O/c1-2-20-14-10-7-6-9-13(14)18-16(20)19-15(21)11-5-3-4-8-12-17/h6-7,9-10H,2-5,8,11-12,17H2,1H3,(H,18,19,21)
InChIKeyVFVAOKQYPAZWDL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.90
Rot. Bonds8

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

7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide (PubChem CID 119678504) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide
PubChem CID119678504
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide
SMILESCCn1c(NC(=O)CCCCCCN)nc2ccccc21
InChIInChI=1S/C16H24N4O/c1-2-20-14-10-7-6-9-13(14)18-16(20)19-15(21)11-5-3-4-8-12-17/h6-7,9-10H,2-5,8,11-12,17H2,1H3,(H,18,19,21)
InChIKeyVFVAOKQYPAZWDL-UHFFFAOYSA-N
XLogP2.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.90
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

2-amino-N-(1-ethylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119265457
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide
CID 119866274
3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
CID 119678530
4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide
CID 120586690
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide
CID 60572664
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341
N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 6494094
(1-ethylbenzimidazol-2-yl)carbamoyl acetate
CID 127259054
N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
CID 27897993

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide?
The IUPAC name of 7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide (CID 119678504) is 7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide?
The canonical SMILES for 7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide is CCn1c(NC(=O)CCCCCCN)nc2ccccc21.
What is the InChIKey of 7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide?
The InChIKey is VFVAOKQYPAZWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-20-14-10-7-6-9-13(14)18-16(20)19-15(21)11-5-3-4-8-12-17/h6-7,9-10H,2-5,8,11-12,17H2,1H3,(H,18,19,21).
What are the key properties of 7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide?
7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide has a molecular weight of 288.39 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide is sourced from PubChem (CID 119678504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).