N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide

C17H16N8O2 — CID 70738724

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cnc(Cn2cncn2)[nH]c1=O
InChIInChI=1S/C17H16N8O2/c26-16(19-6-5-14-22-12-3-1-2-4-13(12)23-14)11-7-20-15(24-17(11)27)8-25-10-18-9-21-25/h1-4,7,9-10H,5-6,8H2,(H,19,26)(H,22,23)(H,20,24,27)
InChIKeyULIBPWBYQTWLGX-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.26
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 70738724) has the molecular formula C17H16N8O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID70738724
Molecular FormulaC17H16N8O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cnc(Cn2cncn2)[nH]c1=O
InChIInChI=1S/C17H16N8O2/c26-16(19-6-5-14-22-12-3-1-2-4-13(12)23-14)11-7-20-15(24-17(11)27)8-25-10-18-9-21-25/h1-4,7,9-10H,5-6,8H2,(H,19,26)(H,22,23)(H,20,24,27)
InChIKeyULIBPWBYQTWLGX-UHFFFAOYSA-N
XLogP0.26
TPSA134.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 56876658
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CID 70751645
N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
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CID 97115290
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CID 50977313
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(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 70738724) is N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide is O=C(NCCc1nc2ccccc2[nH]1)c1cnc(Cn2cncn2)[nH]c1=O.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is ULIBPWBYQTWLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O2/c26-16(19-6-5-14-22-12-3-1-2-4-13(12)23-14)11-7-20-15(24-17(11)27)8-25-10-18-9-21-25/h1-4,7,9-10H,5-6,8H2,(H,19,26)(H,22,23)(H,20,24,27).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70738724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).