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

C17H17N3O — CID 108774344

IUPACN-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
SMILESCc1ccc2c(c1)C(Nc1nc3ccccc3[nH]1)CCO2
InChIInChI=1S/C17H17N3O/c1-11-6-7-16-12(10-11)13(8-9-21-16)18-17-19-14-4-2-3-5-15(14)20-17/h2-7,10,13H,8-9H2,1H3,(H2,18,19,20)
InChIKeyONRRACYVVVAYJE-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.81
Rot. Bonds2

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

N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine (PubChem CID 108774344) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
PubChem CID108774344
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
SMILESCc1ccc2c(c1)C(Nc1nc3ccccc3[nH]1)CCO2
InChIInChI=1S/C17H17N3O/c1-11-6-7-16-12(10-11)13(8-9-21-16)18-17-19-14-4-2-3-5-15(14)20-17/h2-7,10,13H,8-9H2,1H3,(H2,18,19,20)
InChIKeyONRRACYVVVAYJE-UHFFFAOYSA-N
XLogP3.81
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
CID 108777152
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774312
2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 58590456
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine
CID 108777137
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 103936660
2-[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]-3H-quinazolin-4-one
CID 136581117
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108774333
6-(2-fluoropropan-2-yl)-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 58590433
3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 63562926
N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3547940
2-[(7-chloro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-benzimidazole-4-carbonitrile
CID 170579615

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine (CID 108774344) is N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine is Cc1ccc2c(c1)C(Nc1nc3ccccc3[nH]1)CCO2.
What is the InChIKey of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine?
The InChIKey is ONRRACYVVVAYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-6-7-16-12(10-11)13(8-9-21-16)18-17-19-14-4-2-3-5-15(14)20-17/h2-7,10,13H,8-9H2,1H3,(H2,18,19,20).
What are the key properties of N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine?
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine has a molecular weight of 279.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 108774344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).