N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine

C16H16N4 — CID 62293136

IUPACN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)ncn2-c1ccc(CNC2CC2)cn1
InChIInChI=1S/C16H16N4/c1-2-4-15-14(3-1)19-11-20(15)16-8-5-12(10-18-16)9-17-13-6-7-13/h1-5,8,10-11,13,17H,6-7,9H2
InChIKeyBLSRQPHIBWCYJT-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.67
Rot. Bonds4

About N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62293136) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62293136
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)ncn2-c1ccc(CNC2CC2)cn1
InChIInChI=1S/C16H16N4/c1-2-4-15-14(3-1)19-11-20(15)16-8-5-12(10-18-16)9-17-13-6-7-13/h1-5,8,10-11,13,17H,6-7,9H2
InChIKeyBLSRQPHIBWCYJT-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 62293136) is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine is c1ccc2c(c1)ncn2-c1ccc(CNC2CC2)cn1.
What is the InChIKey of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is BLSRQPHIBWCYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-4-15-14(3-1)19-11-20(15)16-8-5-12(10-18-16)9-17-13-6-7-13/h1-5,8,10-11,13,17H,6-7,9H2.
What are the key properties of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 264.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62293136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).