(Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine

C22H24N4O2 — CID 143822040

IUPAC(Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1ccc2nc(C3COc4ccc(OCCC)cc4C3)[nH]c2c1
InChIInChI=1S/C22H24N4O2/c1-2-7-27-18-4-6-21-15(9-18)8-16(13-28-21)22-25-19-5-3-14(10-20(19)26-22)17(11-23)12-24/h3-6,9-12,16,23H,2,7-8,13,24H2,1H3,(H,25,26)/b17-12+,23-11+
InChIKeyJEKBTSSQSINEKP-NXSXZRGRSA-N
MW376.46 g/mol
LogP4.02
Rot. Bonds6

About (Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine

(Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine (PubChem CID 143822040) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine
PubChem CID143822040
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1ccc2nc(C3COc4ccc(OCCC)cc4C3)[nH]c2c1
InChIInChI=1S/C22H24N4O2/c1-2-7-27-18-4-6-21-15(9-18)8-16(13-28-21)22-25-19-5-3-14(10-20(19)26-22)17(11-23)12-24/h3-6,9-12,16,23H,2,7-8,13,24H2,1H3,(H,25,26)/b17-12+,23-11+
InChIKeyJEKBTSSQSINEKP-NXSXZRGRSA-N
XLogP4.02
TPSA97.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole
CID 58164372
(Z)-3-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]-4-iminobut-2-en-2-amine
CID 143822032
6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-8-[2-(dimethylamino)ethyl-methylamino]-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-quinazolin-4-one
CID 143996542
(Z)-3-imino-2-[2-[(3R,4S)-4-(4-methoxyphenyl)-1-methylsulfonylpyrrolidin-3-yl]-3H-benzimidazol-5-yl]prop-1-en-1-amine
CID 143821973
2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole
CID 63590184
4-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]-3H-benzimidazol-5-yl]pyrimidin-2-amine
CID 58164205
3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide
CID 143821855
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 67062500
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 46881515
5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one
CID 167295101
3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-methoxy-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide;2,2,2-trifluoroacetic acid
CID 117076361
3-[6-(2-amino-4-pyridinyl)-1H-benzimidazol-2-yl]-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;2,2,2-trifluoroacetic acid
CID 117075954

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine (CID 143822040) is (Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine is [H]/N=C/C(=C\N)c1ccc2nc(C3COc4ccc(OCCC)cc4C3)[nH]c2c1.
What is the InChIKey of (Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine?
The InChIKey is JEKBTSSQSINEKP-NXSXZRGRSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-7-27-18-4-6-21-15(9-18)8-16(13-28-21)22-25-19-5-3-14(10-20(19)26-22)17(11-23)12-24/h3-6,9-12,16,23H,2,7-8,13,24H2,1H3,(H,25,26)/b17-12+,23-11+.
What are the key properties of (Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine?
(Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine has a molecular weight of 376.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine is sourced from PubChem (CID 143822040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).