N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide

C20H24N4O — CID 154762835

IUPACN-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide
SMILESCC(NC(=O)C(C)c1ccncc1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C20H24N4O/c1-13(2)24-18-8-6-5-7-17(18)23-19(24)15(4)22-20(25)14(3)16-9-11-21-12-10-16/h5-15H,1-4H3,(H,22,25)
InChIKeyVPSULSOIYDQSON-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.99
Rot. Bonds5

About N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide

N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide (PubChem CID 154762835) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide
PubChem CID154762835
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide
SMILESCC(NC(=O)C(C)c1ccncc1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C20H24N4O/c1-13(2)24-18-8-6-5-7-17(18)23-19(24)15(4)22-20(25)14(3)16-9-11-21-12-10-16/h5-15H,1-4H3,(H,22,25)
InChIKeyVPSULSOIYDQSON-UHFFFAOYSA-N
XLogP3.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 120670410
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 4592510
N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 751172
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 119186029
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685706
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 119890737
(R)-phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
CID 799402
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 126821301
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942310
3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
CID 46974251

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide?
The IUPAC name of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide (CID 154762835) is N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide?
The canonical SMILES for N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide is CC(NC(=O)C(C)c1ccncc1)c1nc2ccccc2n1C(C)C.
What is the InChIKey of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide?
The InChIKey is VPSULSOIYDQSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13(2)24-18-8-6-5-7-17(18)23-19(24)15(4)22-20(25)14(3)16-9-11-21-12-10-16/h5-15H,1-4H3,(H,22,25).
What are the key properties of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide?
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide has a molecular weight of 336.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide is sourced from PubChem (CID 154762835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).