7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine

C16H14ClN3O — CID 62366094

IUPAC7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1C1CCOc2ccccc21
InChIInChI=1S/C16H14ClN3O/c17-11-5-3-6-12-15(11)20(16(18)19-12)13-8-9-21-14-7-2-1-4-10(13)14/h1-7,13H,8-9H2,(H2,18,19)
InChIKeyNPANOVRVNXFHEQ-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.64
Rot. Bonds1

About 7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine

7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine (PubChem CID 62366094) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine
PubChem CID62366094
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1C1CCOc2ccccc21
InChIInChI=1S/C16H14ClN3O/c17-11-5-3-6-12-15(11)20(16(18)19-12)13-8-9-21-14-7-2-1-4-10(13)14/h1-7,13H,8-9H2,(H2,18,19)
InChIKeyNPANOVRVNXFHEQ-UHFFFAOYSA-N
XLogP3.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79273247
3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81140893
1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine
CID 62366268
6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79279142
7-chloro-1-cyclopentylbenzimidazol-2-amine
CID 43661582
7-chloro-1-(oxan-3-yl)benzimidazol-2-amine
CID 63363887
3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258982
6-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79274894
7-chloro-1-(1,1-dioxothian-4-yl)benzimidazol-2-amine
CID 43662181
2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine
CID 79274371
3-tert-butyl-5-chloro-4-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-triazole
CID 63385446
7-chloro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546773

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine (CID 62366094) is 7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine is Nc1nc2cccc(Cl)c2n1C1CCOc2ccccc21.
What is the InChIKey of 7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine?
The InChIKey is NPANOVRVNXFHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-11-5-3-6-12-15(11)20(16(18)19-12)13-8-9-21-14-7-2-1-4-10(13)14/h1-7,13H,8-9H2,(H2,18,19).
What are the key properties of 7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine?
7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine has a molecular weight of 299.76 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 62366094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).