(5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C14H19N5O2 — CID 129488970

IUPAC(5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1noc(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)n1
InChIInChI=1S/C14H19N5O2/c1-7(2)12-16-10-5-4-9(6-11(10)17-12)13(20)18-14-15-8(3)19-21-14/h7,9H,4-6H2,1-3H3,(H,16,17)(H,15,18,19,20)/t9-/m0/s1
InChIKeyATCUSJRKNRPRLV-VIFPVBQESA-N
MW289.34 g/mol
LogP1.97
Rot. Bonds3

About (5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 129488970) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID129488970
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1noc(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)n1
InChIInChI=1S/C14H19N5O2/c1-7(2)12-16-10-5-4-9(6-11(10)17-12)13(20)18-14-15-8(3)19-21-14/h7,9H,4-6H2,1-3H3,(H,16,17)(H,15,18,19,20)/t9-/m0/s1
InChIKeyATCUSJRKNRPRLV-VIFPVBQESA-N
XLogP1.97
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 129489325
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628447
(5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 129490170
(5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 129489236
N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide
CID 47045402
(5S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663038
1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
CID 129490053
N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640412
(2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide
CID 104874178
N-(4-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640425
(5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664473
N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640414

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 129488970) is (5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1noc(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)n1.
What is the InChIKey of (5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is ATCUSJRKNRPRLV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19N5O2/c1-7(2)12-16-10-5-4-9(6-11(10)17-12)13(20)18-14-15-8(3)19-21-14/h7,9H,4-6H2,1-3H3,(H,16,17)(H,15,18,19,20)/t9-/m0/s1.
What are the key properties of (5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 129488970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).