N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide

C16H18N6O — CID 138723232

IUPACN-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCNCc1nc2ccccc2[nH]1)c1cnccn1
InChIInChI=1S/C16H18N6O/c23-16(14-10-18-8-9-19-14)20-7-3-6-17-11-15-21-12-4-1-2-5-13(12)22-15/h1-2,4-5,8-10,17H,3,6-7,11H2,(H,20,23)(H,21,22)
InChIKeyRFTHUUYBNZXVPI-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.26
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide

N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 138723232) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide
PubChem CID138723232
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCNCc1nc2ccccc2[nH]1)c1cnccn1
InChIInChI=1S/C16H18N6O/c23-16(14-10-18-8-9-19-14)20-7-3-6-17-11-15-21-12-4-1-2-5-13(12)22-15/h1-2,4-5,8-10,17H,3,6-7,11H2,(H,20,23)(H,21,22)
InChIKeyRFTHUUYBNZXVPI-UHFFFAOYSA-N
XLogP1.26
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide
CID 126714287
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(1H-benzimidazol-2-ylmethyl)-6-(pyrazin-2-ylamino)pyridine-2-carboxamide
CID 117087702
N-[3-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]pyrazine-2-carboxamide
CID 59694122
N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide
CID 91821615
N-[3-[1H-benzimidazol-2-ylmethyl-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]amino]propyl]pyrazine-2-carboxamide
CID 163565145
2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129067099
2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129067209
N-[3-[1H-benzimidazol-2-ylmethyl-[5-(5,6,7,8-tetrahydroquinolin-8-yl)pentyl]amino]propyl]pyrazine-2-carboxamide
CID 155486128
N-[3-(1H-benzimidazol-2-ylamino)propyl]pyridine-2-carboxamide
CID 122179102
benzyl N-[6-(1H-benzimidazol-2-ylmethylamino)hexyl]carbamate
CID 20577728
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide (CID 138723232) is N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide is O=C(NCCCNCc1nc2ccccc2[nH]1)c1cnccn1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is RFTHUUYBNZXVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-16(14-10-18-8-9-19-14)20-7-3-6-17-11-15-21-12-4-1-2-5-13(12)22-15/h1-2,4-5,8-10,17H,3,6-7,11H2,(H,20,23)(H,21,22).
What are the key properties of N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide?
N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 138723232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).