1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide

C14H13N5O — CID 110765853

IUPAC1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ncccn3)ccc2n1C
InChIInChI=1S/C14H13N5O/c1-9-17-11-8-10(4-5-12(11)19(9)2)13(20)18-14-15-6-3-7-16-14/h3-8H,1-2H3,(H,15,16,18,20)
InChIKeyZCPCZTBXPQHQDC-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.92
Rot. Bonds2

About 1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide

1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide (PubChem CID 110765853) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide
PubChem CID110765853
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ncccn3)ccc2n1C
InChIInChI=1S/C14H13N5O/c1-9-17-11-8-10(4-5-12(11)19(9)2)13(20)18-14-15-6-3-7-16-14/h3-8H,1-2H3,(H,15,16,18,20)
InChIKeyZCPCZTBXPQHQDC-UHFFFAOYSA-N
XLogP1.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide (CID 110765853) is 1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)Nc3ncccn3)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide?
The InChIKey is ZCPCZTBXPQHQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-17-11-8-10(4-5-12(11)19(9)2)13(20)18-14-15-6-3-7-16-14/h3-8H,1-2H3,(H,15,16,18,20).
What are the key properties of 1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide?
1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110765853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).