3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

C22H26N4O2 — CID 135091628

IUPAC3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C22H26N4O2/c1-2-21-24-18-5-3-4-6-20(18)26(21)12-9-22(27)25-19-15-28-14-17(19)13-16-7-10-23-11-8-16/h3-8,10-11,17,19H,2,9,12-15H2,1H3,(H,25,27)/t17-,19+/m1/s1
InChIKeyWCNXMOHDZSAJTF-MJGOQNOKSA-N
MW378.48 g/mol
LogP2.76
Rot. Bonds7

About 3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide (PubChem CID 135091628) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
PubChem CID135091628
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C22H26N4O2/c1-2-21-24-18-5-3-4-6-20(18)26(21)12-9-22(27)25-19-15-28-14-17(19)13-16-7-10-23-11-8-16/h3-8,10-11,17,19H,2,9,12-15H2,1H3,(H,25,27)/t17-,19+/m1/s1
InChIKeyWCNXMOHDZSAJTF-MJGOQNOKSA-N
XLogP2.76
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-(2-ethylbenzimidazol-1-yl)propanamide
CID 115602213
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
4-phenyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712464
3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide
CID 110163698
3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 119068190
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134699637
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 135111853
2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135114158
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide
CID 155996062
3-(2-ethylbenzimidazol-1-yl)-N-(4-methoxycyclohexyl)propanamide
CID 90647636
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
The IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide (CID 135091628) is 3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
The canonical SMILES for 3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide is CCc1nc2ccccc2n1CCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1.
What is the InChIKey of 3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
The InChIKey is WCNXMOHDZSAJTF-MJGOQNOKSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-21-24-18-5-3-4-6-20(18)26(21)12-9-22(27)25-19-15-28-14-17(19)13-16-7-10-23-11-8-16/h3-8,10-11,17,19H,2,9,12-15H2,1H3,(H,25,27)/t17-,19+/m1/s1.
What are the key properties of 3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide?
3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide has a molecular weight of 378.48 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide is sourced from PubChem (CID 135091628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).