4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide

C14H20N4O2 — CID 120586690

IUPAC4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide
SMILESCCn1c(NC(=O)CC(CN)OC)nc2ccccc21
InChIInChI=1S/C14H20N4O2/c1-3-18-12-7-5-4-6-11(12)16-14(18)17-13(19)8-10(9-15)20-2/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,17,19)
InChIKeyDCZFAJYKMYXHCQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.36
Rot. Bonds6

About 4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide

4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide (PubChem CID 120586690) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide
PubChem CID120586690
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide
SMILESCCn1c(NC(=O)CC(CN)OC)nc2ccccc21
InChIInChI=1S/C14H20N4O2/c1-3-18-12-7-5-4-6-11(12)16-14(18)17-13(19)8-10(9-15)20-2/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,17,19)
InChIKeyDCZFAJYKMYXHCQ-UHFFFAOYSA-N
XLogP1.36
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
CID 119678530
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CID 119265457
7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide
CID 119678504
N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 6494094
(1-ethylbenzimidazol-2-yl)carbamoyl acetate
CID 127259054
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CID 119678519
3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide
CID 60572664
N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
CID 17417130
N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
CID 27897993
N-(1-ethylbenzimidazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 43053714
2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide
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CID 35279970

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide (CID 120586690) is 4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide is CCn1c(NC(=O)CC(CN)OC)nc2ccccc21.
What is the InChIKey of 4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide?
The InChIKey is DCZFAJYKMYXHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-18-12-7-5-4-6-11(12)16-14(18)17-13(19)8-10(9-15)20-2/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,17,19).
What are the key properties of 4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide?
4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide has a molecular weight of 276.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide is sourced from PubChem (CID 120586690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).