1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine

C11H17N5 — CID 62741188

IUPAC1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
SMILESCc1[nH]cnc1CNC(C)Cn1ccnc1
InChIInChI=1S/C11H17N5/c1-9(6-16-4-3-12-8-16)13-5-11-10(2)14-7-15-11/h3-4,7-9,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyKXJOMHCKEGMUOP-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.09
Rot. Bonds5

About 1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine

1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine (PubChem CID 62741188) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
PubChem CID62741188
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
SMILESCc1[nH]cnc1CNC(C)Cn1ccnc1
InChIInChI=1S/C11H17N5/c1-9(6-16-4-3-12-8-16)13-5-11-10(2)14-7-15-11/h3-4,7-9,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyKXJOMHCKEGMUOP-UHFFFAOYSA-N
XLogP1.09
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43749812
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 78962048
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine
CID 63000923
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 56714307
3-(imidazol-1-ylmethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62742474
1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 54958968
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94823725
1-imidazol-1-yl-N-(quinoxalin-2-ylmethyl)propan-2-amine
CID 43791950

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine (CID 62741188) is 1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine is Cc1[nH]cnc1CNC(C)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine?
The InChIKey is KXJOMHCKEGMUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9(6-16-4-3-12-8-16)13-5-11-10(2)14-7-15-11/h3-4,7-9,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine?
1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 62741188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).