1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine

C12H15N7 — CID 18322609

IUPAC1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine
SMILESc1c[nH]c(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)n1
InChIInChI=1S/C12H15N7/c1-2-14-10(13-1)7-19(8-11-15-3-4-16-11)9-12-17-5-6-18-12/h1-6H,7-9H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyLFIWZYMSAHCGQS-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.06
Rot. Bonds6

About 1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine

1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine (PubChem CID 18322609) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine
PubChem CID18322609
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine
SMILESc1c[nH]c(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)n1
InChIInChI=1S/C12H15N7/c1-2-14-10(13-1)7-19(8-11-15-3-4-16-11)9-12-17-5-6-18-12/h1-6H,7-9H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyLFIWZYMSAHCGQS-UHFFFAOYSA-N
XLogP1.06
TPSA89.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine (CID 18322609) is 1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine is c1c[nH]c(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)n1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine?
The InChIKey is LFIWZYMSAHCGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-2-14-10(13-1)7-19(8-11-15-3-4-16-11)9-12-17-5-6-18-12/h1-6H,7-9H2,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine?
1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine has a molecular weight of 257.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)methanamine is sourced from PubChem (CID 18322609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).