N,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine

C9H13N5 — CID 122695711

IUPACN,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine
SMILESCNc1ncc(-c2ncc(C)[nH]2)n1C
InChIInChI=1S/C9H13N5/c1-6-4-11-8(13-6)7-5-12-9(10-2)14(7)3/h4-5H,1-3H3,(H,10,12)(H,11,13)
InChIKeyMMUBEPFPDICUNX-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.16
Rot. Bonds2

About N,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine

N,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine (PubChem CID 122695711) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine
PubChem CID122695711
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine
SMILESCNc1ncc(-c2ncc(C)[nH]2)n1C
InChIInChI=1S/C9H13N5/c1-6-4-11-8(13-6)7-5-12-9(10-2)14(7)3/h4-5H,1-3H3,(H,10,12)(H,11,13)
InChIKeyMMUBEPFPDICUNX-UHFFFAOYSA-N
XLogP1.16
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(1H-imidazol-4-ylmethyl)(methyl)amine
CID 20675588
((1-methyl-1H-imidazol-5-yl)methyl)(propan-2-yl)amine
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ethyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine?
The IUPAC name of N,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine (CID 122695711) is N,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine.
What is the SMILES notation for N,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine?
The canonical SMILES for N,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine is CNc1ncc(-c2ncc(C)[nH]2)n1C.
What is the InChIKey of N,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine?
The InChIKey is MMUBEPFPDICUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-6-4-11-8(13-6)7-5-12-9(10-2)14(7)3/h4-5H,1-3H3,(H,10,12)(H,11,13).
What are the key properties of N,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine?
N,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine has a molecular weight of 191.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-(5-methyl-1H-imidazol-2-yl)imidazol-2-amine is sourced from PubChem (CID 122695711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).