N-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide

C11H16N6O — CID 25228950

IUPACN-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NCCCc1cnc(N)[nH]1
InChIInChI=1S/C11H16N6O/c1-17-6-5-13-9(17)10(18)14-4-2-3-8-7-15-11(12)16-8/h5-7H,2-4H2,1H3,(H,14,18)(H3,12,15,16)
InChIKeyUZPMYQIRPAQSGR-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.09
Rot. Bonds5

About N-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide

N-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide (PubChem CID 25228950) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide
PubChem CID25228950
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NCCCc1cnc(N)[nH]1
InChIInChI=1S/C11H16N6O/c1-17-6-5-13-9(17)10(18)14-4-2-3-8-7-15-11(12)16-8/h5-7H,2-4H2,1H3,(H,14,18)(H3,12,15,16)
InChIKeyUZPMYQIRPAQSGR-UHFFFAOYSA-N
XLogP0.09
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide
CID 101260235
N-hexyl-1-methylimidazole-2-carboxamide
CID 162400455
3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride
CID 131859934
1-methyl-N-propylimidazole-2-carboxamide
CID 12006368
N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 59766106
N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-ethylpyrrole-2-carboxamide;hydrochloride
CID 25229183
CID 89250322
CID 89250322
N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-(4-bromophenyl)pyrrole-2-carboxamide
CID 25195271
5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide
CID 25178089
5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide;hydrochloride
CID 25178088
N-[5-[[5-(6-aminohexylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
CID 11434095
N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide
CID 115646653

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide (CID 25228950) is N-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)NCCCc1cnc(N)[nH]1.
What is the InChIKey of N-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide?
The InChIKey is UZPMYQIRPAQSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-17-6-5-13-9(17)10(18)14-4-2-3-8-7-15-11(12)16-8/h5-7H,2-4H2,1H3,(H,14,18)(H3,12,15,16).
What are the key properties of N-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide?
N-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 25228950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).