N-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide

C19H27N3O2 — CID 46970414

IUPACN-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide
SMILESCCn1c(C(C)C)nc2cc(NC(=O)CCC3CCCO3)ccc21
InChIInChI=1S/C19H27N3O2/c1-4-22-17-9-7-14(12-16(17)21-19(22)13(2)3)20-18(23)10-8-15-6-5-11-24-15/h7,9,12-13,15H,4-6,8,10-11H2,1-3H3,(H,20,23)
InChIKeyDCNLJEOSKHTLPD-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.08
Rot. Bonds6

About N-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide

N-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide (PubChem CID 46970414) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide
PubChem CID46970414
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide
SMILESCCn1c(C(C)C)nc2cc(NC(=O)CCC3CCCO3)ccc21
InChIInChI=1S/C19H27N3O2/c1-4-22-17-9-7-14(12-16(17)21-19(22)13(2)3)20-18(23)10-8-15-6-5-11-24-15/h7,9,12-13,15H,4-6,8,10-11H2,1-3H3,(H,20,23)
InChIKeyDCNLJEOSKHTLPD-UHFFFAOYSA-N
XLogP4.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
2-[5-[3-(oxolan-2-yl)propanoylamino]indol-1-yl]acetic acid
CID 119235479
3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide
CID 106910402
N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 65157052
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide
CID 103789254
2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 43353096
N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride
CID 119419458
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
CID 55605765
N-(3-nitrophenyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 39095709
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide (CID 46970414) is N-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide is CCn1c(C(C)C)nc2cc(NC(=O)CCC3CCCO3)ccc21.
What is the InChIKey of N-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide?
The InChIKey is DCNLJEOSKHTLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-22-17-9-7-14(12-16(17)21-19(22)13(2)3)20-18(23)10-8-15-6-5-11-24-15/h7,9,12-13,15H,4-6,8,10-11H2,1-3H3,(H,20,23).
What are the key properties of N-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide?
N-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide has a molecular weight of 329.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-propan-2-ylbenzimidazol-5-yl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 46970414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).