3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline

C15H17N5 — CID 62743654

IUPAC3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cccc(Cn3ccnc3)c2)[nH]1
InChIInChI=1S/C15H17N5/c1-12-17-8-15(19-12)9-18-14-4-2-3-13(7-14)10-20-6-5-16-11-20/h2-8,11,18H,9-10H2,1H3,(H,17,19)
InChIKeyHEHVXOXRJWEAKL-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.58
Rot. Bonds5

About 3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline

3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline (PubChem CID 62743654) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
PubChem CID62743654
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cccc(Cn3ccnc3)c2)[nH]1
InChIInChI=1S/C15H17N5/c1-12-17-8-15(19-12)9-18-14-4-2-3-13(7-14)10-20-6-5-16-11-20/h2-8,11,18H,9-10H2,1H3,(H,17,19)
InChIKeyHEHVXOXRJWEAKL-UHFFFAOYSA-N
XLogP2.58
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline
CID 43737809
3-(imidazol-1-ylmethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62742474
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 75391678
N-[(4,5-dibromofuran-2-yl)methyl]-3-(imidazol-1-ylmethyl)aniline
CID 62083428
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfonylaniline
CID 62742178
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 43696854
3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline
CID 6474849
N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 46913521
4-bromo-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62742136
3-(difluoromethoxy)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62743456
6-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]pyridin-3-amine
CID 62741207
3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline
CID 43737857

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The IUPAC name of 3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline (CID 62743654) is 3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline is Cc1ncc(CNc2cccc(Cn3ccnc3)c2)[nH]1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The InChIKey is HEHVXOXRJWEAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-12-17-8-15(19-12)9-18-14-4-2-3-13(7-14)10-20-6-5-16-11-20/h2-8,11,18H,9-10H2,1H3,(H,17,19).
What are the key properties of 3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline has a molecular weight of 267.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline is sourced from PubChem (CID 62743654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).