3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide

C13H18N4O — CID 119678530

IUPAC3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
SMILESCCn1c(NC(=O)CC(C)N)nc2ccccc21
InChIInChI=1S/C13H18N4O/c1-3-17-11-7-5-4-6-10(11)15-13(17)16-12(18)8-9(2)14/h4-7,9H,3,8,14H2,1-2H3,(H,15,16,18)
InChIKeyGOJCHNMWXVSCOG-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.73
Rot. Bonds4

About 3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide

3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide (PubChem CID 119678530) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
PubChem CID119678530
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
SMILESCCn1c(NC(=O)CC(C)N)nc2ccccc21
InChIInChI=1S/C13H18N4O/c1-3-17-11-7-5-4-6-10(11)15-13(17)16-12(18)8-9(2)14/h4-7,9H,3,8,14H2,1-2H3,(H,15,16,18)
InChIKeyGOJCHNMWXVSCOG-UHFFFAOYSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide
CID 120586690
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CID 119265457
7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide
CID 119678504
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866331
N-(1-ethylbenzimidazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119678519
N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 6494094
(1-ethylbenzimidazol-2-yl)carbamoyl acetate
CID 127259054
2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
CID 119265100
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
CID 27897993
2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide
CID 60563007

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide?
The IUPAC name of 3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide (CID 119678530) is 3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide.
What is the SMILES notation for 3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide?
The canonical SMILES for 3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide is CCn1c(NC(=O)CC(C)N)nc2ccccc21.
What is the InChIKey of 3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide?
The InChIKey is GOJCHNMWXVSCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-17-11-7-5-4-6-10(11)15-13(17)16-12(18)8-9(2)14/h4-7,9H,3,8,14H2,1-2H3,(H,15,16,18).
What are the key properties of 3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide?
3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide has a molecular weight of 246.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide is sourced from PubChem (CID 119678530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).