N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide

C14H19N5O2 — CID 123952258

IUPACN-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(N)n2CCC(N)=O
InChIInChI=1S/C14H19N5O2/c1-2-3-13(21)17-9-4-5-11-10(8-9)18-14(16)19(11)7-6-12(15)20/h4-5,8H,2-3,6-7H2,1H3,(H2,15,20)(H2,16,18)(H,17,21)
InChIKeyGCABJKNTEKTGMF-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.23
Rot. Bonds6

About N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide

N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide (PubChem CID 123952258) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide
PubChem CID123952258
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(N)n2CCC(N)=O
InChIInChI=1S/C14H19N5O2/c1-2-3-13(21)17-9-4-5-11-10(8-9)18-14(16)19(11)7-6-12(15)20/h4-5,8H,2-3,6-7H2,1H3,(H2,15,20)(H2,16,18)(H,17,21)
InChIKeyGCABJKNTEKTGMF-UHFFFAOYSA-N
XLogP1.23
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide?
The IUPAC name of N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide (CID 123952258) is N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide.
What is the SMILES notation for N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide?
The canonical SMILES for N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)nc(N)n2CCC(N)=O.
What is the InChIKey of N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide?
The InChIKey is GCABJKNTEKTGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-3-13(21)17-9-4-5-11-10(8-9)18-14(16)19(11)7-6-12(15)20/h4-5,8H,2-3,6-7H2,1H3,(H2,15,20)(H2,16,18)(H,17,21).
What are the key properties of N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide?
N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide has a molecular weight of 289.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide is sourced from PubChem (CID 123952258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).