2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide

C14H19N3O2 — CID 110765504

IUPAC2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCOC)cc2[nH]1
InChIInChI=1S/C14H19N3O2/c1-3-13-16-11-6-5-10(9-12(11)17-13)14(18)15-7-4-8-19-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyBXQHYXNAGMKLIQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.89
Rot. Bonds6

About 2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide

2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide (PubChem CID 110765504) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
PubChem CID110765504
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCOC)cc2[nH]1
InChIInChI=1S/C14H19N3O2/c1-3-13-16-11-6-5-10(9-12(11)17-13)14(18)15-7-4-8-19-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyBXQHYXNAGMKLIQ-UHFFFAOYSA-N
XLogP1.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110765535
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110765531
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765508
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 110765610
methyl 4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 110803344

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide (CID 110765504) is 2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide is CCc1nc2ccc(C(=O)NCCCOC)cc2[nH]1.
What is the InChIKey of 2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is BXQHYXNAGMKLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-13-16-11-6-5-10(9-12(11)17-13)14(18)15-7-4-8-19-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide?
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110765504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).