N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide

C14H19N3O — CID 3600585

IUPACN-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1nc2ccccc2n1C(C)C
InChIInChI=1S/C14H19N3O/c1-4-14(18)15-9-13-16-11-7-5-6-8-12(11)17(13)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)
InChIKeyWSTCJDVCOWUQJM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.64
Rot. Bonds4

About N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide

N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide (PubChem CID 3600585) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
PubChem CID3600585
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1nc2ccccc2n1C(C)C
InChIInChI=1S/C14H19N3O/c1-4-14(18)15-9-13-16-11-7-5-6-8-12(11)17(13)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)
InChIKeyWSTCJDVCOWUQJM-UHFFFAOYSA-N
XLogP2.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide?
The IUPAC name of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide (CID 3600585) is N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide?
The canonical SMILES for N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide is CCC(=O)NCc1nc2ccccc2n1C(C)C.
What is the InChIKey of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide?
The InChIKey is WSTCJDVCOWUQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-14(18)15-9-13-16-11-7-5-6-8-12(11)17(13)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18).
What are the key properties of N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide?
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide has a molecular weight of 245.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 3600585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).