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

C19H19N3O — CID 170958607

IUPAC2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine
SMILESc1ccc2c(c1)OCCC2Nc1cccc2[nH]c(C3CC3)nc12
InChIInChI=1S/C19H19N3O/c1-2-7-17-13(4-1)14(10-11-23-17)20-15-5-3-6-16-18(15)22-19(21-16)12-8-9-12/h1-7,12,14,20H,8-11H2,(H,21,22)
InChIKeyQFIRGSIJHZHERW-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.38
Rot. Bonds3

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

2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine (PubChem CID 170958607) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine
PubChem CID170958607
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine
SMILESc1ccc2c(c1)OCCC2Nc1cccc2[nH]c(C3CC3)nc12
InChIInChI=1S/C19H19N3O/c1-2-7-17-13(4-1)14(10-11-23-17)20-15-5-3-6-16-18(15)22-19(21-16)12-8-9-12/h1-7,12,14,20H,8-11H2,(H,21,22)
InChIKeyQFIRGSIJHZHERW-UHFFFAOYSA-N
XLogP4.38
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine (CID 170958607) is 2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine is c1ccc2c(c1)OCCC2Nc1cccc2[nH]c(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine?
The InChIKey is QFIRGSIJHZHERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-7-17-13(4-1)14(10-11-23-17)20-15-5-3-6-16-18(15)22-19(21-16)12-8-9-12/h1-7,12,14,20H,8-11H2,(H,21,22).
What are the key properties of 2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine?
2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine has a molecular weight of 305.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 170958607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).