4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide

C14H18N4O — CID 62508536

IUPAC4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide
SMILESNC(=O)CCCn1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C14H18N4O/c15-10-5-6-12-11(8-10)17-14(9-3-4-9)18(12)7-1-2-13(16)19/h5-6,8-9H,1-4,7,15H2,(H2,16,19)
InChIKeyOJWHIUSBZNYPNO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.76
Rot. Bonds5

About 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide

4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide (PubChem CID 62508536) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide.

Molecular Properties

Compound Name4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide
PubChem CID62508536
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide
SMILESNC(=O)CCCn1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C14H18N4O/c15-10-5-6-12-11(8-10)17-14(9-3-4-9)18(12)7-1-2-13(16)19/h5-6,8-9H,1-4,7,15H2,(H2,16,19)
InChIKeyOJWHIUSBZNYPNO-UHFFFAOYSA-N
XLogP1.76
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.76
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

3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide
CID 62507866
ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate
CID 64577977
2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate
CID 83215207
2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499135
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
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-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360961
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine
CID 104765893
2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
CID 113304084
2-cyclopropyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-5-amine
CID 106408059

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide?
The IUPAC name of 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide (CID 62508536) is 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide.
What is the SMILES notation for 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide?
The canonical SMILES for 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide is NC(=O)CCCn1c(C2CC2)nc2cc(N)ccc21.
What is the InChIKey of 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide?
The InChIKey is OJWHIUSBZNYPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-5-6-12-11(8-10)17-14(9-3-4-9)18(12)7-1-2-13(16)19/h5-6,8-9H,1-4,7,15H2,(H2,16,19).
What are the key properties of 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide?
4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide has a molecular weight of 258.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide is sourced from PubChem (CID 62508536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).