ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate

C16H21N3O2 — CID 64577977

IUPACethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate
SMILESCCOC(=O)CCCn1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C16H21N3O2/c1-2-21-15(20)4-3-9-19-14-8-7-12(17)10-13(14)18-16(19)11-5-6-11/h7-8,10-11H,2-6,9,17H2,1H3
InChIKeyURPROBQTHUIHTN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.84
Rot. Bonds6

About ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate

ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate (PubChem CID 64577977) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate
PubChem CID64577977
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nameethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate
SMILESCCOC(=O)CCCn1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C16H21N3O2/c1-2-21-15(20)4-3-9-19-14-8-7-12(17)10-13(14)18-16(19)11-5-6-11/h7-8,10-11H,2-6,9,17H2,1H3
InChIKeyURPROBQTHUIHTN-UHFFFAOYSA-N
XLogP2.84
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide
CID 62508536
3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide
CID 62507866
2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate
CID 83215207
2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499135
2-cyclopropyl-1-(2-methylsulfanylethyl)benzimidazol-5-amine
CID 63958490
2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid
CID 43140489
2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine
CID 104765893
2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360961
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507722
2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
CID 134083858
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate?
The IUPAC name of ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate (CID 64577977) is ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate?
The canonical SMILES for ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate is CCOC(=O)CCCn1c(C2CC2)nc2cc(N)ccc21.
What is the InChIKey of ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate?
The InChIKey is URPROBQTHUIHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-21-15(20)4-3-9-19-14-8-7-12(17)10-13(14)18-16(19)11-5-6-11/h7-8,10-11H,2-6,9,17H2,1H3.
What are the key properties of ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate?
ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate has a molecular weight of 287.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate is sourced from PubChem (CID 64577977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).