2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine

C14H20N4O — CID 102956438

IUPAC2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
SMILESCOC1CCCN(Cc2nc3ccc(N)cc3[nH]2)C1
InChIInChI=1S/C14H20N4O/c1-19-11-3-2-6-18(8-11)9-14-16-12-5-4-10(15)7-13(12)17-14/h4-5,7,11H,2-3,6,8-9,15H2,1H3,(H,16,17)
InChIKeyHJTPQJVBAKYDOB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.76
Rot. Bonds3

About 2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine

2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine (PubChem CID 102956438) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
PubChem CID102956438
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
SMILESCOC1CCCN(Cc2nc3ccc(N)cc3[nH]2)C1
InChIInChI=1S/C14H20N4O/c1-19-11-3-2-6-18(8-11)9-14-16-12-5-4-10(15)7-13(12)17-14/h4-5,7,11H,2-3,6,8-9,15H2,1H3,(H,16,17)
InChIKeyHJTPQJVBAKYDOB-UHFFFAOYSA-N
XLogP1.76
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-3H-benzimidazol-5-amine
CID 79165590
2-[(4,4-dimethylazepan-1-yl)methyl]-3H-benzimidazol-5-amine
CID 65283216
2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-amine
CID 93391422
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 43375659
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine
CID 66393782
2-(1,4-thiazepan-4-ylmethyl)-3H-benzimidazol-5-amine
CID 61418378
1-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]piperidin-3-ol
CID 43575336
2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-amine;hydrochloride
CID 11948880
6-[(3-methoxypiperidin-1-yl)methyl]pyridin-3-amine
CID 102963724
2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine
CID 102742944
6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
CID 82335981
2-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-benzoxazol-6-amine
CID 103530830

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine (CID 102956438) is 2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine is COC1CCCN(Cc2nc3ccc(N)cc3[nH]2)C1.
What is the InChIKey of 2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine?
The InChIKey is HJTPQJVBAKYDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-19-11-3-2-6-18(8-11)9-14-16-12-5-4-10(15)7-13(12)17-14/h4-5,7,11H,2-3,6,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine?
2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine has a molecular weight of 260.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 102956438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).