N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine

C16H17N3O — CID 46989535

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(Cc1nc2ccccc2[nH]1)Cc1ccco1
InChIInChI=1S/C16H17N3O/c1-2-9-19(11-13-6-5-10-20-13)12-16-17-14-7-3-4-8-15(14)18-16/h2-8,10H,1,9,11-12H2,(H,17,18)
InChIKeyBACIUDVOLIYPTH-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.34
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine

N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine (PubChem CID 46989535) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine
PubChem CID46989535
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(Cc1nc2ccccc2[nH]1)Cc1ccco1
InChIInChI=1S/C16H17N3O/c1-2-9-19(11-13-6-5-10-20-13)12-16-17-14-7-3-4-8-15(14)18-16/h2-8,10H,1,9,11-12H2,(H,17,18)
InChIKeyBACIUDVOLIYPTH-UHFFFAOYSA-N
XLogP3.34
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 46962152
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;dichloromanganese
CID 21107923
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-[3-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]phenyl]ethanamine
CID 172879399
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
CID 29303584
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)
CID 91865506
copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride
CID 139158673
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
N-[2-(4-bromophenyl)ethyl]-N-(furan-2-ylmethyl)prop-2-en-1-amine
CID 54352349
trisilver;bis(1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 139153801
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
N-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55683049
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine
CID 75519005

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine (CID 46989535) is N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine is C=CCN(Cc1nc2ccccc2[nH]1)Cc1ccco1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is BACIUDVOLIYPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-9-19(11-13-6-5-10-20-13)12-16-17-14-7-3-4-8-15(14)18-16/h2-8,10H,1,9,11-12H2,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine?
N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 46989535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).