N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide

C13H17N5O — CID 91794163

IUPACN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(c2nccn2C)C2CC2)[nH]1
InChIInChI=1S/C13H17N5O/c1-8-7-15-11(16-8)13(19)17-10(9-3-4-9)12-14-5-6-18(12)2/h5-7,9-10H,3-4H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyZTZQRFWRKSMYNK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.33
Rot. Bonds4

About N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 91794163) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID91794163
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(c2nccn2C)C2CC2)[nH]1
InChIInChI=1S/C13H17N5O/c1-8-7-15-11(16-8)13(19)17-10(9-3-4-9)12-14-5-6-18(12)2/h5-7,9-10H,3-4H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyZTZQRFWRKSMYNK-UHFFFAOYSA-N
XLogP1.33
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 125436853
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 124852775
5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
CID 128988052
4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide
CID 95562906
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 95193985
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 122569754
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 95559023

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide (CID 91794163) is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)NC(c2nccn2C)C2CC2)[nH]1.
What is the InChIKey of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is ZTZQRFWRKSMYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8-7-15-11(16-8)13(19)17-10(9-3-4-9)12-14-5-6-18(12)2/h5-7,9-10H,3-4H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide?
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91794163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).