(5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C15H18N4O — CID 100664473

IUPAC(5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)C[C@H](C(=O)Nc1cnccc1C)CC2
InChIInChI=1S/C15H18N4O/c1-9-5-6-16-8-14(9)19-15(20)11-3-4-12-13(7-11)18-10(2)17-12/h5-6,8,11H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeySEDMNFUJCZBAGQ-LLVKDONJSA-N
MW270.34 g/mol
LogP2.17
Rot. Bonds2

About (5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 100664473) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID100664473
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)C[C@H](C(=O)Nc1cnccc1C)CC2
InChIInChI=1S/C15H18N4O/c1-9-5-6-16-8-14(9)19-15(20)11-3-4-12-13(7-11)18-10(2)17-12/h5-6,8,11H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeySEDMNFUJCZBAGQ-LLVKDONJSA-N
XLogP2.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 100664473) is (5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)C[C@H](C(=O)Nc1cnccc1C)CC2.
What is the InChIKey of (5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is SEDMNFUJCZBAGQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-5-6-16-8-14(9)19-15(20)11-3-4-12-13(7-11)18-10(2)17-12/h5-6,8,11H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 100664473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).