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

C17H25N5O2 — CID 144530619

IUPACN-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)c1ccc2c(c1)nc(N)n2CCC(N)=O
InChIInChI=1S/C17H25N5O2/c1-5-17(2,3)15(24)21(4)11-6-7-13-12(10-11)20-16(19)22(13)9-8-14(18)23/h6-7,10H,5,8-9H2,1-4H3,(H2,18,23)(H2,19,20)
InChIKeyQXHSSLAUHYNZHI-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.89
Rot. Bonds6

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

N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]-N,2,2-trimethylbutanamide (PubChem CID 144530619) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]-N,2,2-trimethylbutanamide
PubChem CID144530619
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)c1ccc2c(c1)nc(N)n2CCC(N)=O
InChIInChI=1S/C17H25N5O2/c1-5-17(2,3)15(24)21(4)11-6-7-13-12(10-11)20-16(19)22(13)9-8-14(18)23/h6-7,10H,5,8-9H2,1-4H3,(H2,18,23)(H2,19,20)
InChIKeyQXHSSLAUHYNZHI-UHFFFAOYSA-N
XLogP1.89
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
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]-N,2,2-trimethylbutanamide?
The IUPAC name of N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]-N,2,2-trimethylbutanamide (CID 144530619) is N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]-N,2,2-trimethylbutanamide?
The canonical SMILES for N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)c1ccc2c(c1)nc(N)n2CCC(N)=O.
What is the InChIKey of N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]-N,2,2-trimethylbutanamide?
The InChIKey is QXHSSLAUHYNZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-17(2,3)15(24)21(4)11-6-7-13-12(10-11)20-16(19)22(13)9-8-14(18)23/h6-7,10H,5,8-9H2,1-4H3,(H2,18,23)(H2,19,20).
What are the key properties of N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]-N,2,2-trimethylbutanamide?
N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]-N,2,2-trimethylbutanamide has a molecular weight of 331.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 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]-N,2,2-trimethylbutanamide is sourced from PubChem (CID 144530619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).