3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide

C14H18F2N4O — CID 62533064

IUPAC3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCn1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C14H18F2N4O/c1-3-8(2)18-11(21)6-7-20-13-10(19-14(20)17)5-4-9(15)12(13)16/h4-5,8H,3,6-7H2,1-2H3,(H2,17,19)(H,18,21)
InChIKeyDXZYZJZKJWCCSO-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.20
Rot. Bonds5

About 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide

3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide (PubChem CID 62533064) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide
PubChem CID62533064
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCn1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C14H18F2N4O/c1-3-8(2)18-11(21)6-7-20-13-10(19-14(20)17)5-4-9(15)12(13)16/h4-5,8H,3,6-7H2,1-2H3,(H2,17,19)(H,18,21)
InChIKeyDXZYZJZKJWCCSO-UHFFFAOYSA-N
XLogP2.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide?
The IUPAC name of 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide (CID 62533064) is 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide?
The canonical SMILES for 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCn1c(N)nc2ccc(F)c(F)c21.
What is the InChIKey of 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide?
The InChIKey is DXZYZJZKJWCCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-3-8(2)18-11(21)6-7-20-13-10(19-14(20)17)5-4-9(15)12(13)16/h4-5,8H,3,6-7H2,1-2H3,(H2,17,19)(H,18,21).
What are the key properties of 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide?
3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide has a molecular weight of 296.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6,7-difluorobenzimidazol-1-yl)-N-butan-2-ylpropanamide is sourced from PubChem (CID 62533064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).