1-cyclopropyl-2-methylbenzimidazole-5-carboxamide

C12H13N3O — CID 82492875

IUPAC1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(N)=O)ccc2n1C1CC1
InChIInChI=1S/C12H13N3O/c1-7-14-10-6-8(12(13)16)2-5-11(10)15(7)9-3-4-9/h2,5-6,9H,3-4H2,1H3,(H2,13,16)
InChIKeyNSGUFZGKUXNENM-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.78
Rot. Bonds2

About 1-cyclopropyl-2-methylbenzimidazole-5-carboxamide

1-cyclopropyl-2-methylbenzimidazole-5-carboxamide (PubChem CID 82492875) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
PubChem CID82492875
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(N)=O)ccc2n1C1CC1
InChIInChI=1S/C12H13N3O/c1-7-14-10-6-8(12(13)16)2-5-11(10)15(7)9-3-4-9/h2,5-6,9H,3-4H2,1H3,(H2,13,16)
InChIKeyNSGUFZGKUXNENM-UHFFFAOYSA-N
XLogP1.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-2-methylbenzimidazole-5-carboxamide (CID 82492875) is 1-cyclopropyl-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-2-methylbenzimidazole-5-carboxamide is Cc1nc2cc(C(N)=O)ccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methylbenzimidazole-5-carboxamide?
The InChIKey is NSGUFZGKUXNENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-14-10-6-8(12(13)16)2-5-11(10)15(7)9-3-4-9/h2,5-6,9H,3-4H2,1H3,(H2,13,16).
What are the key properties of 1-cyclopropyl-2-methylbenzimidazole-5-carboxamide?
1-cyclopropyl-2-methylbenzimidazole-5-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 82492875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).