3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide

C13H16N4O — CID 62507866

IUPAC3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide
SMILESNC(=O)CCn1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C13H16N4O/c14-9-3-4-11-10(7-9)16-13(8-1-2-8)17(11)6-5-12(15)18/h3-4,7-8H,1-2,5-6,14H2,(H2,15,18)
InChIKeyRWRKOOGPJIVFGH-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.37
Rot. Bonds4

About 3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide

3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide (PubChem CID 62507866) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide
PubChem CID62507866
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide
SMILESNC(=O)CCn1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C13H16N4O/c14-9-3-4-11-10(7-9)16-13(8-1-2-8)17(11)6-5-12(15)18/h3-4,7-8H,1-2,5-6,14H2,(H2,15,18)
InChIKeyRWRKOOGPJIVFGH-UHFFFAOYSA-N
XLogP1.37
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate
CID 83215207
ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate
CID 64577977
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-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507722
2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine
CID 104765893
2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
CID 113304084
3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane
CID 145335496
2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360961
2-cyclopropyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-5-amine
CID 106408059
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide?
The IUPAC name of 3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide (CID 62507866) is 3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for 3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide?
The canonical SMILES for 3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide is NC(=O)CCn1c(C2CC2)nc2cc(N)ccc21.
What is the InChIKey of 3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide?
The InChIKey is RWRKOOGPJIVFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-9-3-4-11-10(7-9)16-13(8-1-2-8)17(11)6-5-12(15)18/h3-4,7-8H,1-2,5-6,14H2,(H2,15,18).
What are the key properties of 3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide?
3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 62507866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).