4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide

C38H56N8O6 — CID 162143796

IUPAC4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide
SMILESCOCCOc1cccc2[nH]c(C(=O)NC3CCN(C(C)C)CC3)nc12.COCCOc1cccc2[nH]c(C(=O)NC3CCN(C(C)C)CC3)nc12
InChIInChI=1S/2C19H28N4O3/c2*1-13(2)23-9-7-14(8-10-23)20-19(24)18-21-15-5-4-6-16(17(15)22-18)26-12-11-25-3/h2*4-6,13-14H,7-12H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyZKGYNVXSUHVYHQ-UHFFFAOYSA-N
MW720.92 g/mol
LogP4.38
Rot. Bonds14

About 4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide

4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide (PubChem CID 162143796) has the molecular formula C38H56N8O6 and a molecular weight of 720.92 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide
PubChem CID162143796
Molecular FormulaC38H56N8O6
Molecular Weight720.92 g/mol
Exact Mass720.43
IUPAC Name4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide
SMILESCOCCOc1cccc2[nH]c(C(=O)NC3CCN(C(C)C)CC3)nc12.COCCOc1cccc2[nH]c(C(=O)NC3CCN(C(C)C)CC3)nc12
InChIInChI=1S/2C19H28N4O3/c2*1-13(2)23-9-7-14(8-10-23)20-19(24)18-21-15-5-4-6-16(17(15)22-18)26-12-11-25-3/h2*4-6,13-14H,7-12H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyZKGYNVXSUHVYHQ-UHFFFAOYSA-N
XLogP4.38
TPSA158.96 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500720.92
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-thieno[3,4-d]imidazole-4-carboxylate
CID 68616117
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
methyl 2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-thieno[3,4-d]imidazole-4-carboxylate;1-propan-2-ylpiperidin-4-amine;dihydrochloride
CID 157076947
4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-benzimidazole-2-carboxamide
CID 91149865
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847
1H-imidazole-5-carboxylic acid;methyl 2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-thieno[3,4-d]imidazole-4-carboxylate
CID 159031134
6-(2-hydroxyethylsulfonyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide
CID 86595874
methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate
CID 174520556
methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylate;methyl 2-(trichloromethyl)-1H-benzimidazole-4-carboxylate
CID 158204114
N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 51110170
1-(4-methoxy-1H-benzimidazol-2-yl)ethanone
CID 18316612

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide (CID 162143796) is 4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide is COCCOc1cccc2[nH]c(C(=O)NC3CCN(C(C)C)CC3)nc12.COCCOc1cccc2[nH]c(C(=O)NC3CCN(C(C)C)CC3)nc12.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide?
The InChIKey is ZKGYNVXSUHVYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H28N4O3/c2*1-13(2)23-9-7-14(8-10-23)20-19(24)18-21-15-5-4-6-16(17(15)22-18)26-12-11-25-3/h2*4-6,13-14H,7-12H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide?
4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide has a molecular weight of 720.92 g/mol, XLogP of 4.38, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 162143796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).