N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine

C16H23N3O — CID 29258744

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine
SMILESCN(CCCc1nc2ccccc2[nH]1)C1CCOCC1
InChIInChI=1S/C16H23N3O/c1-19(13-8-11-20-12-9-13)10-4-7-16-17-14-5-2-3-6-15(14)18-16/h2-3,5-6,13H,4,7-12H2,1H3,(H,17,18)
InChIKeySLZPTEGODWTBMH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.61
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine (PubChem CID 29258744) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine
PubChem CID29258744
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine
SMILESCN(CCCc1nc2ccccc2[nH]1)C1CCOCC1
InChIInChI=1S/C16H23N3O/c1-19(13-8-11-20-12-9-13)10-4-7-16-17-14-5-2-3-6-15(14)18-16/h2-3,5-6,13H,4,7-12H2,1H3,(H,17,18)
InChIKeySLZPTEGODWTBMH-UHFFFAOYSA-N
XLogP2.61
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-1-[(3S)-oxolan-3-yl]urea
CID 99577755
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CID 24731956
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
2-docosyl-1H-benzimidazole
CID 141189761
4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
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CID 141189799
2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 120797230
N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 51097049
N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 55141811
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
2-[3-[3-(1H-benzimidazol-2-yl)propyldisulfanyl]propyl]-1H-benzimidazole
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CID 70659054

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine (CID 29258744) is N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine is CN(CCCc1nc2ccccc2[nH]1)C1CCOCC1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine?
The InChIKey is SLZPTEGODWTBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19(13-8-11-20-12-9-13)10-4-7-16-17-14-5-2-3-6-15(14)18-16/h2-3,5-6,13H,4,7-12H2,1H3,(H,17,18).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine?
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine is sourced from PubChem (CID 29258744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).