N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide

C10H18N4O2 — CID 107973596

IUPACN-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide
SMILESCC(O)CNCCNC(=O)c1cn(C)cn1
InChIInChI=1S/C10H18N4O2/c1-8(15)5-11-3-4-12-10(16)9-6-14(2)7-13-9/h6-8,11,15H,3-5H2,1-2H3,(H,12,16)
InChIKeyBBFQKSPBYHSCMG-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.88
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide (PubChem CID 107973596) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide
PubChem CID107973596
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide
SMILESCC(O)CNCCNC(=O)c1cn(C)cn1
InChIInChI=1S/C10H18N4O2/c1-8(15)5-11-3-4-12-10(16)9-6-14(2)7-13-9/h6-8,11,15H,3-5H2,1-2H3,(H,12,16)
InChIKeyBBFQKSPBYHSCMG-UHFFFAOYSA-N
XLogP-0.88
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.88
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-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide
CID 104594021
N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide
CID 103803885
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide
CID 103860044
N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide
CID 107972296
1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide
CID 134372971
1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide
CID 97020056
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 107971078
N-(3-azidopropyl)-1-methylimidazole-4-carboxamide
CID 107974564
N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
CID 103121080
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
CID 107973269
3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide
CID 113430399

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide (CID 107973596) is N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide is CC(O)CNCCNC(=O)c1cn(C)cn1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide?
The InChIKey is BBFQKSPBYHSCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(15)5-11-3-4-12-10(16)9-6-14(2)7-13-9/h6-8,11,15H,3-5H2,1-2H3,(H,12,16).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 107973596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).