(3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine

C17H26N4O — CID 46889258

IUPAC(3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCOCCn1c(N2CC[C@H](N(C)C)C2)nc2ccccc21
InChIInChI=1S/C17H26N4O/c1-4-22-12-11-21-16-8-6-5-7-15(16)18-17(21)20-10-9-14(13-20)19(2)3/h5-8,14H,4,9-13H2,1-3H3/t14-/m0/s1
InChIKeyVILNAIPEYFWQQH-AWEZNQCLSA-N
MW302.42 g/mol
LogP2.21
Rot. Bonds6

About (3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine

(3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 46889258) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID46889258
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCOCCn1c(N2CC[C@H](N(C)C)C2)nc2ccccc21
InChIInChI=1S/C17H26N4O/c1-4-22-12-11-21-16-8-6-5-7-15(16)18-17(21)20-10-9-14(13-20)19(2)3/h5-8,14H,4,9-13H2,1-3H3/t14-/m0/s1
InChIKeyVILNAIPEYFWQQH-AWEZNQCLSA-N
XLogP2.21
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
CID 3219
8-[1-(2-ethoxyethyl)benzimidazol-2-yl]-8-aza-5-azoniaspiro[4.6]undecane
CID 10812202
1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole
CID 141391428
bis((Z)-but-2-enedioic acid);1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
CID 46878555
1-(2-ethoxyethyl)-2-[4-(4-pyrazol-1-ylbutyl)-1,4-diazepan-1-yl]benzimidazole
CID 10476696
1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
CID 15718965
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450
3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol
CID 121452091
(E)-but-2-enedioic acid;1-(2-ethoxyethyl)-2-[4-(trideuterio(113C)methyl)-1,4-diazepan-1-yl]benzimidazole
CID 163321870
1-[2-(cyclopropylmethoxy)ethyl]-2-(1,4-diazepan-1-yl)benzimidazole
CID 18464495
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
1-cyclopropyl-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16965168

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine (CID 46889258) is (3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine is CCOCCn1c(N2CC[C@H](N(C)C)C2)nc2ccccc21.
What is the InChIKey of (3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is VILNAIPEYFWQQH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-22-12-11-21-16-8-6-5-7-15(16)18-17(21)20-10-9-14(13-20)19(2)3/h5-8,14H,4,9-13H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 302.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 46889258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).