N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine

C11H15N5 — CID 54509015

IUPACN-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine
SMILESCc1cccc2[nH]c(NC3NCCN3)nc12
InChIInChI=1S/C11H15N5/c1-7-3-2-4-8-9(7)15-11(14-8)16-10-12-5-6-13-10/h2-4,10,12-13H,5-6H2,1H3,(H2,14,15,16)
InChIKeyYHTYDZFANCFPHX-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.76
Rot. Bonds2

About N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine

N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine (PubChem CID 54509015) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine
PubChem CID54509015
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine
SMILESCc1cccc2[nH]c(NC3NCCN3)nc12
InChIInChI=1S/C11H15N5/c1-7-3-2-4-8-9(7)15-11(14-8)16-10-12-5-6-13-10/h2-4,10,12-13H,5-6H2,1H3,(H2,14,15,16)
InChIKeyYHTYDZFANCFPHX-UHFFFAOYSA-N
XLogP0.76
TPSA64.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine (CID 54509015) is N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine is Cc1cccc2[nH]c(NC3NCCN3)nc12.
What is the InChIKey of N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine?
The InChIKey is YHTYDZFANCFPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-7-3-2-4-8-9(7)15-11(14-8)16-10-12-5-6-13-10/h2-4,10,12-13H,5-6H2,1H3,(H2,14,15,16).
What are the key properties of N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine?
N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine has a molecular weight of 217.28 g/mol, XLogP of 0.76, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazolidin-2-yl-4-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 54509015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).