N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide

C14H19N5O — CID 91923835

IUPACN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide
SMILESCc1cnc(CCNC(=O)c2cn(C)cn2)n1C1CC1
InChIInChI=1S/C14H19N5O/c1-10-7-16-13(19(10)11-3-4-11)5-6-15-14(20)12-8-18(2)9-17-12/h7-9,11H,3-6H2,1-2H3,(H,15,20)
InChIKeyFKYWBTAFZUTDKI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.23
Rot. Bonds5

About N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide

N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide (PubChem CID 91923835) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide
PubChem CID91923835
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide
SMILESCc1cnc(CCNC(=O)c2cn(C)cn2)n1C1CC1
InChIInChI=1S/C14H19N5O/c1-10-7-16-13(19(10)11-3-4-11)5-6-15-14(20)12-8-18(2)9-17-12/h7-9,11H,3-6H2,1-2H3,(H,15,20)
InChIKeyFKYWBTAFZUTDKI-UHFFFAOYSA-N
XLogP1.23
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide
CID 110203803
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide
CID 134372971
N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 91911669
N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide
CID 136516341
N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
CID 118781993
N-[(2-bromocyclohexyl)methyl]-1-methylimidazole-4-carboxamide
CID 107975123
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 91911666
3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid
CID 83883905
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 107971078
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide
CID 107973596
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide (CID 91923835) is N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide is Cc1cnc(CCNC(=O)c2cn(C)cn2)n1C1CC1.
What is the InChIKey of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide?
The InChIKey is FKYWBTAFZUTDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-7-16-13(19(10)11-3-4-11)5-6-15-14(20)12-8-18(2)9-17-12/h7-9,11H,3-6H2,1-2H3,(H,15,20).
What are the key properties of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide?
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 91923835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).