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

C9H11N5O — CID 63295768

IUPACN-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide
SMILESCn1ccnc1CNC(=O)n1ccnc1
InChIInChI=1S/C9H11N5O/c1-13-4-3-11-8(13)6-12-9(15)14-5-2-10-7-14/h2-5,7H,6H2,1H3,(H,12,15)
InChIKeyGAGDWAVJIPZUTD-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.37
Rot. Bonds2

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

N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide (PubChem CID 63295768) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide
PubChem CID63295768
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide
SMILESCn1ccnc1CNC(=O)n1ccnc1
InChIInChI=1S/C9H11N5O/c1-13-4-3-11-8(13)6-12-9(15)14-5-2-10-7-14/h2-5,7H,6H2,1H3,(H,12,15)
InChIKeyGAGDWAVJIPZUTD-UHFFFAOYSA-N
XLogP0.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
CID 114332839
N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide
CID 102908387
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
6-amino-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 114035922
4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81242142
3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63666126

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide (CID 63295768) is N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide is Cn1ccnc1CNC(=O)n1ccnc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide?
The InChIKey is GAGDWAVJIPZUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-13-4-3-11-8(13)6-12-9(15)14-5-2-10-7-14/h2-5,7H,6H2,1H3,(H,12,15).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide is sourced from PubChem (CID 63295768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).