3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide

C22H25N5O — CID 46974251

IUPAC3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2[nH]1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C22H25N5O/c1-14(2)27-19-11-7-6-10-18(19)26-22(27)15(3)23-21(28)13-12-20-24-16-8-4-5-9-17(16)25-20/h4-11,14-15H,12-13H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyFBBUELWECWKENP-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.30
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide (PubChem CID 46974251) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
PubChem CID46974251
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2[nH]1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C22H25N5O/c1-14(2)27-19-11-7-6-10-18(19)26-22(27)15(3)23-21(28)13-12-20-24-16-8-4-5-9-17(16)25-20/h4-11,14-15H,12-13H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyFBBUELWECWKENP-UHFFFAOYSA-N
XLogP4.30
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide (CID 46974251) is 3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide is CC(NC(=O)CCc1nc2ccccc2[nH]1)c1nc2ccccc2n1C(C)C.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide?
The InChIKey is FBBUELWECWKENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-14(2)27-19-11-7-6-10-18(19)26-22(27)15(3)23-21(28)13-12-20-24-16-8-4-5-9-17(16)25-20/h4-11,14-15H,12-13H2,1-3H3,(H,23,28)(H,24,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide has a molecular weight of 375.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 46974251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).