N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine

C10H15N5 — CID 50955176

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine
SMILESCc1ncc(CN(C)Cc2ncc[nH]2)[nH]1
InChIInChI=1S/C10H15N5/c1-8-13-5-9(14-8)6-15(2)7-10-11-3-4-12-10/h3-5H,6-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyASJWOHBOEXZIOJ-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.07
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine

N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine (PubChem CID 50955176) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine
PubChem CID50955176
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine
SMILESCc1ncc(CN(C)Cc2ncc[nH]2)[nH]1
InChIInChI=1S/C10H15N5/c1-8-13-5-9(14-8)6-15(2)7-10-11-3-4-12-10/h3-5H,6-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyASJWOHBOEXZIOJ-UHFFFAOYSA-N
XLogP1.07
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methylethanamine
CID 55285283
2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
CID 82407203
N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine
CID 59825984
N,N-dimethyl-2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride
CID 90677626
N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine
CID 176673035
2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid
CID 82407276
N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine
CID 56918228
2-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenoxy]-N,N-dimethylethanamine
CID 77086929
N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 91213426
1-(1H-imidazol-2-ylmethyl)-1-methylthiourea
CID 64511696
2-methyl-5-propyl-1H-imidazole
CID 22956170

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine (CID 50955176) is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine is Cc1ncc(CN(C)Cc2ncc[nH]2)[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The InChIKey is ASJWOHBOEXZIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-8-13-5-9(14-8)6-15(2)7-10-11-3-4-12-10/h3-5H,6-7H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine?
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine has a molecular weight of 205.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 50955176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).