N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine

C16H14ClN3O — CID 108777152

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
SMILESClc1ccc2c(c1)C(Nc1nc3ccccc3[nH]1)CCO2
InChIInChI=1S/C16H14ClN3O/c17-10-5-6-15-11(9-10)12(7-8-21-15)18-16-19-13-3-1-2-4-14(13)20-16/h1-6,9,12H,7-8H2,(H2,18,19,20)
InChIKeyQFKNSFUDPJIARG-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.15
Rot. Bonds2

About N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine (PubChem CID 108777152) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
PubChem CID108777152
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
SMILESClc1ccc2c(c1)C(Nc1nc3ccccc3[nH]1)CCO2
InChIInChI=1S/C16H14ClN3O/c17-10-5-6-15-11(9-10)12(7-8-21-15)18-16-19-13-3-1-2-4-14(13)20-16/h1-6,9,12H,7-8H2,(H2,18,19,20)
InChIKeyQFKNSFUDPJIARG-UHFFFAOYSA-N
XLogP4.15
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
CID 108774344
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine
CID 108777137
2-[(7-chloro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-benzimidazole-4-carbonitrile
CID 170579615
2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one
CID 137268379
(6-chloro-3,4-dihydro-2H-chromen-4-yl)hydrazine
CID 53403029
5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774229
N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 12851989
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 171985913
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 108777132
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
CID 62367304
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine (CID 108777152) is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine is Clc1ccc2c(c1)C(Nc1nc3ccccc3[nH]1)CCO2.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine?
The InChIKey is QFKNSFUDPJIARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-10-5-6-15-11(9-10)12(7-8-21-15)18-16-19-13-3-1-2-4-14(13)20-16/h1-6,9,12H,7-8H2,(H2,18,19,20).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine?
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine has a molecular weight of 299.76 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 108777152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).